diff --git a/external/OntoRXN.ofn b/external/OntoRXN.ofn
new file mode 100644
index 0000000..e4a5541
--- /dev/null
+++ b/external/OntoRXN.ofn
@@ -0,0 +1,488 @@
+Prefix(:=<http://www.semanticweb.com/OntoRxn#>)
+Prefix(dc:=<http://purl.org/dc/elements/1.1/>)
+Prefix(gc:=<http://purl.org/gc/>)
+Prefix(ns:=<http://creativecommons.org/ns#>)
+Prefix(mop:=<http://purl.obolibrary.org/obo/mop#>)
+Prefix(ns2:=<http://www.w3.org/2003/06/sw-vocab-status/ns#>)
+Prefix(obo:=<http://purl.obolibrary.org/obo/>)
+Prefix(owl:=<http://www.w3.org/2002/07/owl#>)
+Prefix(rdf:=<http://www.w3.org/1999/02/22-rdf-syntax-ns#>)
+Prefix(xml:=<http://www.w3.org/XML/1998/namespace>)
+Prefix(xsd:=<http://www.w3.org/2001/XMLSchema#>)
+Prefix(qudt:=<http://data.nasa.gov/qudt/owl/qudt#>)
+Prefix(rdfs:=<http://www.w3.org/2000/01/rdf-schema#>)
+Prefix(terms:=<http://purl.org/dc/terms/>)
+Prefix(terms1:=<http://www.purl.org/dc/terms/>)
+Prefix(oboInOwl:=<http://www.geneontology.org/formats/oboInOwl#>)
+Prefix(ontospecies:=<http://theworldavatar.com/ontology/ontospecies/OntoSpecies.owl#>)
+
+
+Ontology(<http://www.semanticweb.com/OntoRxn>
+<http://www.semanticweb.com/OntoRxn/0.2.0>
+Import(<http://theworldavatar.com/ontology/ontocompchem/ontocompchem.owl>)
+Annotation(dc:description "OntoRXN is an ontology for the description of reaction networks as undirected graphs characterized by energies."@en)
+Annotation(dc:title "OntoRXN"@en)
+Annotation(terms:license "https://creativecommons.org/licenses/by/4.0/")
+
+Declaration(Class(obo:MOP_0000543))
+Declaration(Class(gc:VectorValue))
+Declaration(Class(ontospecies:Species))
+Declaration(Class(<http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Block>))
+Declaration(Class(<http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Classification>))
+Declaration(Class(<http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Element>))
+Declaration(Class(<http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Group>))
+Declaration(Class(<http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Period>))
+Declaration(Class(<http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#StandardState>))
+Declaration(Class(:ChemSpecies))
+Declaration(Class(:CompCalculation))
+Declaration(Class(:NetworkStage))
+Declaration(Class(:ReactionStep))
+Declaration(Class(:ThermoCondition))
+Declaration(Class(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>))
+Declaration(Class(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GenericCalculation>))
+Declaration(Class(<http://www.w3.org/ns/shacl#NodeShape>))
+Declaration(ObjectProperty(:hasCalculation))
+Declaration(ObjectProperty(:hasElecEnergy))
+Declaration(ObjectProperty(:hasEnergy))
+Declaration(ObjectProperty(:hasFreqList))
+Declaration(ObjectProperty(:hasGibbsFreeEnergy))
+Declaration(ObjectProperty(:hasMolMass))
+Declaration(ObjectProperty(:hasMomentInertia))
+Declaration(ObjectProperty(:hasNode))
+Declaration(ObjectProperty(:hasPressure))
+Declaration(ObjectProperty(:hasReactionType))
+Declaration(ObjectProperty(:hasRotTemps))
+Declaration(ObjectProperty(:hasSolventPolarity))
+Declaration(ObjectProperty(:hasSpecies))
+Declaration(ObjectProperty(:hasTS))
+Declaration(ObjectProperty(:hasTemperature))
+Declaration(ObjectProperty(:hasThermoConditions))
+Declaration(ObjectProperty(:isCalculationOf))
+Declaration(ObjectProperty(:isConnectedWith))
+Declaration(ObjectProperty(:isNodeOf))
+Declaration(ObjectProperty(:isSpeciesOf))
+Declaration(ObjectProperty(:isTSOf))
+Declaration(DataProperty(:hasAnnotation))
+Declaration(DataProperty(:hasInChI))
+Declaration(DataProperty(:hasSolvent))
+Declaration(DataProperty(:hasSymmetryNumber))
+Declaration(DataProperty(:hasXYZGeometry))
+Declaration(NamedIndividual(<http://data.nasa.gov/qudt/owl/quantity#EnergyAndWork>))
+Declaration(NamedIndividual(<http://data.nasa.gov/qudt/owl/quantity#Length>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Ac>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Ag>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Al>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Ar>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#At>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Au>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Bh>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Bi>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Cf>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Cm>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Cr>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Dy>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Er>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Es>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Gd>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Ir>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Lr>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Lu>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Md>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Metallic>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Mn>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Nb>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#No>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Non-metallic>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Np>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#O>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Pb>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Pt>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Pu>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Ra>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Rb>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Re>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Rf>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Rh>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Rn>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Ru>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#S>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Sb>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Se>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Semi-metallic>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Sg>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Si>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Tm>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#U>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Uub>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Uuh>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Uup>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Uuq>))
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+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#W>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Xe>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Y>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Yb>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Zn>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#Zr>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#d-block>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#f-block>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#gas>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_1>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_10>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_11>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_12>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_13>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_14>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_15>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_16>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_17>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_18>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_2>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_3>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_4>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_5>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_6>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_7>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_8>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_9>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_actinoid>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#group_lanthanoid>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#liquid>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#p-block>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_1>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_2>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_3>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_4>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_5>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_6>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#period_7>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#s-block>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#solid>))
+Declaration(NamedIndividual(<http://www.daml.org/2003/01/periodictable/PeriodicTable#state_unknown>))
+Declaration(NamedIndividual(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#OutputSource>))
+Declaration(AnnotationProperty(<isAbstract>))
+Declaration(AnnotationProperty(qudt:description))
+Declaration(AnnotationProperty(dc:description))
+Declaration(AnnotationProperty(dc:title))
+Declaration(AnnotationProperty(terms:description))
+Declaration(AnnotationProperty(terms:hasVersion))
+Declaration(AnnotationProperty(terms:issued))
+Declaration(AnnotationProperty(terms:license))
+Declaration(Datatype(xsd:date))
+
+############################
+#   Object Properties
+############################
+
+# Object Property: :hasCalculation (has calculation)
+
+AnnotationAssertion(rdfs:comment :hasCalculation "Links a given chemical entity in the reaction network to the calculation(s) defined for that entity."@en)
+AnnotationAssertion(rdfs:label :hasCalculation "has calculation")
+InverseObjectProperties(:hasCalculation :isCalculationOf)
+ObjectPropertyDomain(:hasCalculation :ChemSpecies)
+ObjectPropertyRange(:hasCalculation :CompCalculation)
+
+# Object Property: :hasElecEnergy (has electronic energy)
+
+AnnotationAssertion(rdfs:comment :hasElecEnergy "Property defining the electronic energy of a calculation")
+AnnotationAssertion(rdfs:label :hasElecEnergy "has electronic energy")
+SubObjectPropertyOf(:hasElecEnergy :hasEnergy)
+
+# Object Property: :hasEnergy (has energy)
+
+AnnotationAssertion(rdfs:comment :hasEnergy "Parent property for energies in a calculation.")
+AnnotationAssertion(rdfs:label :hasEnergy "has energy")
+FunctionalObjectProperty(:hasEnergy)
+ObjectPropertyDomain(:hasEnergy gc:CalculationResult)
+ObjectPropertyRange(:hasEnergy gc:FloatValue)
+
+# Object Property: :hasFreqList (has freqlist)
+
+AnnotationAssertion(rdfs:comment :hasFreqList "Property defining the list of frequencies (in cm-1) for a calculation.")
+AnnotationAssertion(rdfs:label :hasFreqList "has freqlist")
+FunctionalObjectProperty(:hasFreqList)
+ObjectPropertyDomain(:hasFreqList gc:CalculationResult)
+ObjectPropertyRange(:hasFreqList gc:VectorValue)
+
+# Object Property: :hasGibbsFreeEnergy (has Gibbs free energy)
+
+AnnotationAssertion(rdfs:comment :hasGibbsFreeEnergy "Property defining the Gibbs free energy of a calculation.")
+AnnotationAssertion(rdfs:label :hasGibbsFreeEnergy "has Gibbs free energy")
+SubObjectPropertyOf(:hasGibbsFreeEnergy :hasEnergy)
+
+# Object Property: :hasMolMass (:hasMolMass)
+
+ObjectPropertyDomain(:hasMolMass gc:CalculationResult)
+ObjectPropertyRange(:hasMolMass gc:FloatValue)
+
+# Object Property: :hasMomentInertia (:hasMomentInertia)
+
+ObjectPropertyDomain(:hasMomentInertia gc:CalculationResult)
+ObjectPropertyRange(:hasMomentInertia gc:VectorValue)
+
+# Object Property: :hasNode (has node)
+
+AnnotationAssertion(rdfs:comment :hasNode "Links a reaction step in the reaction network with the stage corresponding to an intermediate."@en)
+AnnotationAssertion(rdfs:label :hasNode "has node")
+InverseObjectProperties(:hasNode :isNodeOf)
+ObjectPropertyDomain(:hasNode :ReactionStep)
+ObjectPropertyRange(:hasNode :NetworkStage)
+
+# Object Property: :hasPressure (has pressure)
+
+AnnotationAssertion(rdfs:comment :hasPressure "Property defining the pressure for determining thermodynamic properties")
+AnnotationAssertion(rdfs:label :hasPressure "has pressure")
+ObjectPropertyDomain(:hasPressure :ThermoCondition)
+ObjectPropertyRange(:hasPressure gc:FloatValue)
+
+# Object Property: :hasReactionType (has reaction type)
+
+AnnotationAssertion(rdfs:comment :hasReactionType "Property that links a named molecular process to a ReactionStep entity")
+AnnotationAssertion(rdfs:label :hasReactionType "has reaction type")
+ObjectPropertyDomain(:hasReactionType :ReactionStep)
+ObjectPropertyRange(:hasReactionType obo:MOP_0000543)
+
+# Object Property: :hasRotTemps (:hasRotTemps)
+
+ObjectPropertyDomain(:hasRotTemps gc:CalculationResult)
+ObjectPropertyRange(:hasRotTemps gc:VectorValue)
+
+# Object Property: :hasSolventPolarity (has solvent polarity)
+
+AnnotationAssertion(rdfs:label :hasSolventPolarity "has solvent polarity")
+ObjectPropertyDomain(:hasSolventPolarity gc:CalculationResult)
+ObjectPropertyRange(:hasSolventPolarity gc:FloatValue)
+
+# Object Property: :hasSpecies (has species)
+
+AnnotationAssertion(rdfs:comment :hasSpecies "Links a given stage in the reaction network to the chemical entities collected by that stage."@en)
+AnnotationAssertion(rdfs:label :hasSpecies "has species")
+InverseObjectProperties(:hasSpecies :isSpeciesOf)
+ObjectPropertyDomain(:hasSpecies :NetworkStage)
+ObjectPropertyRange(:hasSpecies :ChemSpecies)
+
+# Object Property: :hasTS (has TS)
+
+AnnotationAssertion(rdfs:comment :hasTS "Links a reaction step in the reaction network with the stage corresponding to a transition state."@en)
+AnnotationAssertion(rdfs:label :hasTS "has TS")
+InverseObjectProperties(:hasTS :isTSOf)
+FunctionalObjectProperty(:hasTS)
+ObjectPropertyDomain(:hasTS :ReactionStep)
+ObjectPropertyRange(:hasTS :NetworkStage)
+
+# Object Property: :hasTemperature (has temperature)
+
+AnnotationAssertion(rdfs:comment :hasTemperature "Property defining the temperature for determining thermodynamic properties")
+AnnotationAssertion(rdfs:label :hasTemperature "has temperature")
+ObjectPropertyDomain(:hasTemperature :ThermoCondition)
+ObjectPropertyRange(:hasTemperature gc:FloatValue)
+
+# Object Property: :hasThermoConditions (has thermodynamic conditions)
+
+AnnotationAssertion(rdfs:comment :hasThermoConditions "Property to link calculations with the corresponding thermodynamic conditions")
+AnnotationAssertion(rdfs:label :hasThermoConditions "has thermodynamic conditions")
+ObjectPropertyDomain(:hasThermoConditions :CompCalculation)
+ObjectPropertyRange(:hasThermoConditions :ThermoCondition)
+
+# Object Property: :isCalculationOf (is calculation of)
+
+AnnotationAssertion(rdfs:comment :isCalculationOf "Links a calculation to the chemical entity to which it refers."@en)
+AnnotationAssertion(rdfs:label :isCalculationOf "is calculation of")
+
+# Object Property: :isConnectedWith (is connected with)
+
+AnnotationAssertion(rdfs:comment :isConnectedWith "Links two reaction steps having some common intermediate."@en)
+AnnotationAssertion(rdfs:label :isConnectedWith "is connected with")
+ObjectPropertyDomain(:isConnectedWith :ReactionStep)
+ObjectPropertyRange(:isConnectedWith :ReactionStep)
+
+# Object Property: :isNodeOf (is node of)
+
+AnnotationAssertion(rdfs:comment :isNodeOf "Links the stage corresponding to an intermediate in the reaction network to the reaction step(s) it participates in."@en)
+AnnotationAssertion(rdfs:label :isNodeOf "is node of")
+
+# Object Property: :isSpeciesOf (is species of)
+
+AnnotationAssertion(rdfs:comment :isSpeciesOf "Links a given chemical entity in the reaction network to the stage(s) in which it is contained."@en)
+AnnotationAssertion(rdfs:label :isSpeciesOf "is species of")
+
+# Object Property: :isTSOf (is TS of)
+
+AnnotationAssertion(rdfs:comment :isTSOf "Links the stage corresponding to a transition state in the reaction network to the reaction step it participates in."@en)
+AnnotationAssertion(rdfs:label :isTSOf "is TS of")
+
+# Object Property: <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#hasEnvironment> (has environment)
+
+ObjectPropertyDomain(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#hasEnvironment> <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>)
+
+# Object Property: <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#hasInitialization> (has initialization.)
+
+ObjectPropertyDomain(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#hasInitialization> <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>)
+
+# Object Property: <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#hasUniqueSpecies> (has unique species)
+
+ObjectPropertyDomain(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#hasUniqueSpecies> <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>)
+
+
+############################
+#   Data Properties
+############################
+
+# Data Property: :hasAnnotation (has annotation)
+
+AnnotationAssertion(rdfs:comment :hasAnnotation "Property defining string annotations"@en)
+AnnotationAssertion(rdfs:label :hasAnnotation "has annotation")
+DataPropertyRange(:hasAnnotation xsd:string)
+
+# Data Property: :hasInChI (has InChI)
+
+AnnotationAssertion(rdfs:label :hasInChI "has InChI")
+DataPropertyDomain(:hasInChI :ChemSpecies)
+DataPropertyDomain(:hasInChI :CompCalculation)
+
+# Data Property: :hasSolvent (has solvent)
+
+AnnotationAssertion(rdfs:comment :hasSolvent "Property defining the solvent modelled for a calculation."@en)
+AnnotationAssertion(rdfs:label :hasSolvent "has solvent")
+FunctionalDataProperty(:hasSolvent)
+DataPropertyDomain(:hasSolvent :CompCalculation)
+DataPropertyRange(:hasSolvent xsd:string)
+
+# Data Property: :hasSymmetryNumber (:hasSymmetryNumber)
+
+DataPropertyDomain(:hasSymmetryNumber :CompCalculation)
+DataPropertyRange(:hasSymmetryNumber xsd:integer)
+
+# Data Property: :hasXYZGeometry (has XYZ geometry)
+
+AnnotationAssertion(rdfs:comment :hasXYZGeometry "Property defining the string corresponding to the XYZ coordinates of a calculation."@en)
+AnnotationAssertion(rdfs:label :hasXYZGeometry "has XYZ geometry")
+DataPropertyDomain(:hasXYZGeometry :CompCalculation)
+DataPropertyRange(:hasXYZGeometry xsd:string)
+
+
+
+############################
+#   Classes
+############################
+
+# Class: gc:VectorValue (gc:VectorValue)
+
+SubClassOf(gc:VectorValue gc:Value)
+
+# Class: :ChemSpecies (chemical species)
+
+AnnotationAssertion(rdfs:comment :ChemSpecies "Individual molecular entity participating at some point of a reaction network."@en)
+AnnotationAssertion(rdfs:label :ChemSpecies "chemical species")
+SubClassOf(:ChemSpecies owl:Thing)
+
+# Class: :CompCalculation (computational calculation)
+
+AnnotationAssertion(rdfs:comment :CompCalculation "Collection of computational data from an electronic structure calculation."@en)
+AnnotationAssertion(rdfs:label :CompCalculation "computational calculation")
+EquivalentClasses(:CompCalculation <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>)
+SubClassOf(:CompCalculation owl:Thing)
+
+# Class: :NetworkStage (network stage)
+
+AnnotationAssertion(rdfs:comment :NetworkStage "Collection of structures that must be combined to define a point in a reaction network, so as the corresponding energy of the molecule set matches the chosen reference state."@en)
+AnnotationAssertion(rdfs:label :NetworkStage "network stage")
+SubClassOf(:NetworkStage owl:Thing)
+SubClassOf(:NetworkStage ObjectMinCardinality(1 :hasSpecies :ChemSpecies))
+
+# Class: :ReactionStep (reaction step)
+
+AnnotationAssertion(rdfs:comment :ReactionStep "Non-directed step in a reaction network containing two intermediates and (possibly) the corresponding transition state between them."@en)
+AnnotationAssertion(rdfs:label :ReactionStep "reaction step")
+SubClassOf(:ReactionStep owl:Thing)
+SubClassOf(:ReactionStep ObjectExactCardinality(2 :hasNode :NetworkStage))
+
+# Class: :ThermoCondition (thermodynamic condition)
+
+AnnotationAssertion(rdfs:comment :ThermoCondition "A class representing the thermodynamic conditions for a calculation")
+AnnotationAssertion(rdfs:label :ThermoCondition "thermodynamic condition")
+SubClassOf(:ThermoCondition gc:AuxiliaryConcept)
+
+# Class: <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation> (base calculation)
+
+AnnotationAssertion(rdfs:comment <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation> "General class for computational chemistry calculations")
+AnnotationAssertion(rdfs:label <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation> "base calculation")
+
+# Class: <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GaussianCalculation> (Gaussian calculation)
+
+SubClassOf(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GaussianCalculation> <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>)
+
+# Class: <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GenericCalculation> (generic calculation)
+
+AnnotationAssertion(rdfs:comment <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GenericCalculation> "Calculations performed by unspecified software.")
+AnnotationAssertion(rdfs:label <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GenericCalculation> "generic calculation")
+SubClassOf(<http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GenericCalculation> <http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation>)
+
+
+)
\ No newline at end of file
diff --git a/external/OntoRXN.yaml b/external/OntoRXN.yaml
new file mode 100644
index 0000000..56d4485
--- /dev/null
+++ b/external/OntoRXN.yaml
@@ -0,0 +1,271 @@
+id: http://www.semanticweb.com/OntoRxn
+name: OntoRxn
+description: OntoRxn
+imports:
+- linkml:types
+prefixes:
+  linkml: https://w3id.org/linkml/
+  OntoRxn: https://w3id.org/None/
+default_prefix: OntoRxn
+types: {}
+classes:
+  MOP_0000543:
+    class_uri: obo:MOP_0000543
+  VectorValue:
+    class_uri: gc:VectorValue
+    is_a: Value
+  Species:
+    class_uri: ontospecies:Species
+  Block:
+    class_uri: http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Block
+  Classification:
+    class_uri: http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Classification
+  Element:
+    class_uri: http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Element
+  Group:
+    class_uri: http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Group
+  Period:
+    class_uri: http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#Period
+  StandardState:
+    class_uri: http://www.daml.org/2003/01/periodictable/PeriodicTable.owl#StandardState
+  ChemSpecies:
+    class_uri: OntoRxn:ChemSpecies
+    slots:
+    - hasCalculation
+    - hasInChI
+    is_a: Thing
+    comments:
+    - Individual molecular entity participating at some point of a reaction network.@en
+  CompCalculation:
+    class_uri: OntoRxn:CompCalculation
+    slots:
+    - hasThermoConditions
+    - hasInChI
+    - hasSolvent
+    - hasSymmetryNumber
+    - hasXYZGeometry
+    is_a: Thing
+    comments:
+    - Collection of computational data from an electronic structure calculation.@en
+  NetworkStage:
+    class_uri: OntoRxn:NetworkStage
+    slots:
+    - hasSpecies
+    is_a: Thing
+    comments:
+    - Collection of structures that must be combined to define a point in a reaction
+      network, so as the corresponding energy of the molecule set matches the chosen
+      reference state.@en
+    slot_usage:
+      hasSpecies:
+        required: true
+  ReactionStep:
+    class_uri: OntoRxn:ReactionStep
+    slots:
+    - hasNode
+    - hasReactionType
+    - hasTS
+    - isConnectedWith
+    is_a: Thing
+    comments:
+    - Non-directed step in a reaction network containing two intermediates and (possibly)
+      the corresponding transition state between them.@en
+    slot_usage:
+      hasNode:
+        multivalued: true
+  ThermoCondition:
+    class_uri: OntoRxn:ThermoCondition
+    slots:
+    - hasPressure
+    - hasTemperature
+    is_a: AuxiliaryConcept
+    comments:
+    - A class representing the thermodynamic conditions for a calculation
+  BaseCalculation:
+    class_uri: http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#BaseCalculation
+    slots:
+    - hasEnvironment
+    - hasInitialization
+    - hasUniqueSpecies
+    comments:
+    - General class for computational chemistry calculations
+  GenericCalculation:
+    class_uri: http://www.theworldavatar.com/ontology/ontocompchem/ontocompchem.owl#GenericCalculation
+    is_a: BaseCalculation
+    comments:
+    - Calculations performed by unspecified software.
+  NodeShape:
+    class_uri: http://www.w3.org/ns/shacl#NodeShape
+  CalculationResult:
+    slots:
+    - hasEnergy
+    - hasFreqList
+    - hasMolMass
+    - hasMomentInertia
+    - hasRotTemps
+    - hasSolventPolarity
+  GaussianCalculation:
+    is_a: BaseCalculation
+slots:
+  hasCalculation:
+    slot_uri: OntoRxn:hasCalculation
+    range: CompCalculation
+    comments:
+    - Links a given chemical entity in the reaction network to the calculation(s)
+      defined for that entity.@en
+    multivalued: true
+  hasElecEnergy:
+    slot_uri: OntoRxn:hasElecEnergy
+    is_a: hasEnergy
+    comments:
+    - Property defining the electronic energy of a calculation
+    multivalued: true
+  hasEnergy:
+    slot_uri: OntoRxn:hasEnergy
+    range: FloatValue
+    comments:
+    - Parent property for energies in a calculation.
+    multivalued: true
+  hasFreqList:
+    slot_uri: OntoRxn:hasFreqList
+    range: VectorValue
+    comments:
+    - Property defining the list of frequencies (in cm-1) for a calculation.
+    multivalued: true
+  hasGibbsFreeEnergy:
+    slot_uri: OntoRxn:hasGibbsFreeEnergy
+    is_a: hasEnergy
+    comments:
+    - Property defining the Gibbs free energy of a calculation.
+    multivalued: true
+  hasMolMass:
+    slot_uri: OntoRxn:hasMolMass
+    range: FloatValue
+    multivalued: true
+  hasMomentInertia:
+    slot_uri: OntoRxn:hasMomentInertia
+    range: VectorValue
+    multivalued: true
+  hasNode:
+    slot_uri: OntoRxn:hasNode
+    range: NetworkStage
+    comments:
+    - Links a reaction step in the reaction network with the stage corresponding to
+      an intermediate.@en
+    multivalued: true
+  hasPressure:
+    slot_uri: OntoRxn:hasPressure
+    range: FloatValue
+    comments:
+    - Property defining the pressure for determining thermodynamic properties
+    multivalued: true
+  hasReactionType:
+    slot_uri: OntoRxn:hasReactionType
+    range: MOP_0000543
+    comments:
+    - Property that links a named molecular process to a ReactionStep entity
+    multivalued: true
+  hasRotTemps:
+    slot_uri: OntoRxn:hasRotTemps
+    range: VectorValue
+    multivalued: true
+  hasSolventPolarity:
+    slot_uri: OntoRxn:hasSolventPolarity
+    range: FloatValue
+    multivalued: true
+  hasSpecies:
+    slot_uri: OntoRxn:hasSpecies
+    range: ChemSpecies
+    comments:
+    - Links a given stage in the reaction network to the chemical entities collected
+      by that stage.@en
+    multivalued: true
+  hasTS:
+    slot_uri: OntoRxn:hasTS
+    range: NetworkStage
+    comments:
+    - Links a reaction step in the reaction network with the stage corresponding to
+      a transition state.@en
+    multivalued: true
+  hasTemperature:
+    slot_uri: OntoRxn:hasTemperature
+    range: FloatValue
+    comments:
+    - Property defining the temperature for determining thermodynamic properties
+    multivalued: true
+  hasThermoConditions:
+    slot_uri: OntoRxn:hasThermoConditions
+    range: ThermoCondition
+    comments:
+    - Property to link calculations with the corresponding thermodynamic conditions
+    multivalued: true
+  isCalculationOf:
+    slot_uri: OntoRxn:isCalculationOf
+    comments:
+    - Links a calculation to the chemical entity to which it refers.@en
+    multivalued: true
+  isConnectedWith:
+    slot_uri: OntoRxn:isConnectedWith
+    range: ReactionStep
+    comments:
+    - Links two reaction steps having some common intermediate.@en
+    multivalued: true
+  isNodeOf:
+    slot_uri: OntoRxn:isNodeOf
+    comments:
+    - Links the stage corresponding to an intermediate in the reaction network to
+      the reaction step(s) it participates in.@en
+    multivalued: true
+  isSpeciesOf:
+    slot_uri: OntoRxn:isSpeciesOf
+    comments:
+    - Links a given chemical entity in the reaction network to the stage(s) in which
+      it is contained.@en
+    multivalued: true
+  isTSOf:
+    slot_uri: OntoRxn:isTSOf
+    comments:
+    - Links the stage corresponding to a transition state in the reaction network
+      to the reaction step it participates in.@en
+    multivalued: true
+  hasAnnotation:
+    slot_uri: OntoRxn:hasAnnotation
+    comments:
+    - Property defining string annotations@en
+    multivalued: true
+  hasInChI:
+    slot_uri: OntoRxn:hasInChI
+    multivalued: true
+  hasSolvent:
+    slot_uri: OntoRxn:hasSolvent
+    comments:
+    - Property defining the solvent modelled for a calculation.@en
+    multivalued: true
+  hasSymmetryNumber:
+    slot_uri: OntoRxn:hasSymmetryNumber
+    multivalued: true
+  hasXYZGeometry:
+    slot_uri: OntoRxn:hasXYZGeometry
+    comments:
+    - Property defining the string corresponding to the XYZ coordinates of a calculation.@en
+    multivalued: true
+  isAbstract:
+    slot_uri: isAbstract
+    multivalued: true
+  description:
+    slot_uri: terms:description
+    multivalued: true
+  title:
+    slot_uri: dc:title
+    multivalued: true
+  hasVersion:
+    slot_uri: terms:hasVersion
+    multivalued: true
+  issued:
+    slot_uri: terms:issued
+    multivalued: true
+  license:
+    slot_uri: terms:license
+    multivalued: true
+enums: {}
+
diff --git a/external/catalog-v001.xml b/external/catalog-v001.xml
new file mode 100644
index 0000000..83ebb19
--- /dev/null
+++ b/external/catalog-v001.xml
@@ -0,0 +1,6 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<catalog prefer="public" xmlns="urn:oasis:names:tc:entity:xmlns:xml:catalog">
+    <group id="Folder Repository, directory=, recursive=true, Auto-Update=true, version=2" prefer="public" xml:base="">
+        <uri id="Automatically generated entry, Timestamp=1648053070083" name="http://www.semanticweb.org/owl/owlapi/turtle" uri="gc07.owl"/>
+    </group>
+</catalog>
diff --git a/external/daml-periodic-table.ttl b/external/daml-periodic-table.ttl
new file mode 100644
index 0000000..ec6b664
--- /dev/null
+++ b/external/daml-periodic-table.ttl
@@ -0,0 +1,2549 @@
+@prefix : <http://www.daml.org/2003/01/periodictable/PeriodicTable#> .
+@prefix owl: <http://www.w3.org/2002/07/owl#> .
+@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
+@prefix xml: <http://www.w3.org/XML/1998/namespace> .
+@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .
+@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
+@base <http://www.daml.org/2003/01/periodictable/PeriodicTable> .
+
+<http://www.daml.org/2003/01/periodictable/PeriodicTable> rdf:type owl:Ontology ;
+                                                           rdfs:comment "Periodic Table of the Elements" ;
+                                                           owl:versionInfo "$Id: PeriodicTable.owl,v 1.10 2004/02/05 15:49:58 mdean Exp $" .
+
+#################################################################
+#    Object Properties
+#################################################################
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#block
+:block rdf:type owl:ObjectProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#classification
+:classification rdf:type owl:ObjectProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#element
+:element rdf:type owl:ObjectProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group
+:group rdf:type owl:ObjectProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period
+:period rdf:type owl:ObjectProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#standardState
+:standardState rdf:type owl:ObjectProperty .
+
+
+#################################################################
+#    Data properties
+#################################################################
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#atomicNumber
+:atomicNumber rdf:type owl:DatatypeProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#atomicWeight
+:atomicWeight rdf:type owl:DatatypeProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#casRegistryID
+:casRegistryID rdf:type owl:DatatypeProperty ;
+               rdfs:comment "Chemical Abstracts Service (CAS) related information" ;
+               rdfs:seeAlso <http://www.cas.org> .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#color
+:color rdf:type owl:DatatypeProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#name
+:name rdf:type owl:DatatypeProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#number
+:number rdf:type owl:DatatypeProperty .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#symbol
+:symbol rdf:type owl:DatatypeProperty .
+
+
+#################################################################
+#    Classes
+#################################################################
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Block
+:Block rdf:type owl:Class ;
+       owl:equivalentClass [ rdf:type owl:Class ;
+                             owl:oneOf ( :d-block
+                                         :f-block
+                                         :p-block
+                                         :s-block
+                                       )
+                           ] .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Classification
+:Classification rdf:type owl:Class ;
+                owl:equivalentClass [ rdf:type owl:Class ;
+                                      owl:oneOf ( :Metallic
+                                                  :Non-metallic
+                                                  :Semi-metallic
+                                                )
+                                    ] .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Element
+:Element rdf:type owl:Class ;
+         rdfs:subClassOf [ rdf:type owl:Restriction ;
+                           owl:onProperty :block ;
+                           owl:allValuesFrom :Block
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :classification ;
+                           owl:allValuesFrom :Classification
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :group ;
+                           owl:allValuesFrom :Group
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :period ;
+                           owl:allValuesFrom :Period
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :standardState ;
+                           owl:allValuesFrom :StandardState
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :block ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :group ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :period ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :atomicNumber ;
+                           owl:allValuesFrom xsd:integer
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :atomicWeight ;
+                           owl:allValuesFrom xsd:float
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :color ;
+                           owl:allValuesFrom xsd:string
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :name ;
+                           owl:allValuesFrom xsd:string
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :symbol ;
+                           owl:allValuesFrom xsd:string
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :atomicNumber ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :atomicWeight ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :name ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] ,
+                         [ rdf:type owl:Restriction ;
+                           owl:onProperty :symbol ;
+                           owl:cardinality "1"^^xsd:nonNegativeInteger
+                         ] .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Group
+:Group rdf:type owl:Class ;
+       rdfs:subClassOf [ rdf:type owl:Restriction ;
+                         owl:onProperty :element ;
+                         owl:allValuesFrom :Element
+                       ] ,
+                       [ rdf:type owl:Restriction ;
+                         owl:onProperty :name ;
+                         owl:allValuesFrom xsd:string
+                       ] ,
+                       [ rdf:type owl:Restriction ;
+                         owl:onProperty :number ;
+                         owl:allValuesFrom xsd:integer
+                       ] .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Period
+:Period rdf:type owl:Class ;
+        rdfs:subClassOf [ rdf:type owl:Restriction ;
+                          owl:onProperty :element ;
+                          owl:allValuesFrom :Element
+                        ] ,
+                        [ rdf:type owl:Restriction ;
+                          owl:onProperty :number ;
+                          owl:allValuesFrom xsd:integer
+                        ] .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#StandardState
+:StandardState rdf:type owl:Class ;
+               owl:equivalentClass [ rdf:type owl:Class ;
+                                     owl:oneOf ( :gas
+                                                 :liquid
+                                                 :solid
+                                                 :state_unknown
+                                               )
+                                   ] .
+
+
+#################################################################
+#    Individuals
+#################################################################
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ac
+:Ac rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 89 ;
+    :atomicWeight "227.0"^^xsd:float ;
+    :casRegistryID "7440-34-8"^^xsd:string ;
+    :color "silvery"^^xsd:string ;
+    :name "actinium"^^xsd:string ;
+    :symbol "Ac"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ag
+:Ag rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_11 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 47 ;
+    :atomicWeight "107.8682"^^xsd:float ;
+    :casRegistryID "7440-22-4"^^xsd:string ;
+    :color "silver"^^xsd:string ;
+    :name "silver"^^xsd:string ;
+    :symbol "Ag"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Al
+:Al rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_13 ;
+    :period :period_3 ;
+    :standardState :solid ;
+    :atomicNumber 13 ;
+    :atomicWeight "26.981539"^^xsd:float ;
+    :casRegistryID "7429-90-5"^^xsd:string ;
+    :color "silvery"^^xsd:string ;
+    :name "aluminium"^^xsd:string ;
+    :symbol "Al"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Am
+:Am rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 95 ;
+    :atomicWeight "243.0"^^xsd:float ;
+    :casRegistryID "7440-35-9"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "americium"^^xsd:string ;
+    :symbol "Am"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ar
+:Ar rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_18 ;
+    :period :period_3 ;
+    :standardState :gas ;
+    :atomicNumber 18 ;
+    :atomicWeight "39.948"^^xsd:float ;
+    :casRegistryID "7440-37-1"^^xsd:string ;
+    :color "colourless"^^xsd:string ;
+    :name "argon"^^xsd:string ;
+    :symbol "Ar"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#As
+:As rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Semi-metallic ;
+    :group :group_15 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 33 ;
+    :atomicWeight "74.9216"^^xsd:float ;
+    :casRegistryID "7440-38-2"^^xsd:string ;
+    :color "metallic grey"^^xsd:string ;
+    :name "arsenic"^^xsd:string ;
+    :symbol "As"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#At
+:At rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Semi-metallic ;
+    :group :group_17 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 85 ;
+    :atomicWeight "210.0"^^xsd:float ;
+    :casRegistryID "7440-68-8"^^xsd:string ;
+    :color "metallic"^^xsd:string ;
+    :name "astatine"^^xsd:string ;
+    :symbol "At"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Au
+:Au rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_11 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 79 ;
+    :atomicWeight "196.96655"^^xsd:float ;
+    :casRegistryID "7440-57-5"^^xsd:string ;
+    :color "gold"^^xsd:string ;
+    :name "gold"^^xsd:string ;
+    :symbol "Au"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#B
+:B rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Semi-metallic ;
+   :group :group_13 ;
+   :period :period_2 ;
+   :standardState :solid ;
+   :atomicNumber 5 ;
+   :atomicWeight "10.811"^^xsd:float ;
+   :casRegistryID "7440-42-8"^^xsd:string ;
+   :color "black"^^xsd:string ;
+   :name "boron"^^xsd:string ;
+   :symbol "B"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ba
+:Ba rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_2 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 56 ;
+    :atomicWeight "137.327"^^xsd:float ;
+    :casRegistryID "7440-39-3"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "barium"^^xsd:string ;
+    :symbol "Ba"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Be
+:Be rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_2 ;
+    :period :period_2 ;
+    :standardState :solid ;
+    :atomicNumber 4 ;
+    :atomicWeight "9.012182"^^xsd:float ;
+    :casRegistryID "7440-41-7"^^xsd:string ;
+    :color "lead gray"^^xsd:string ;
+    :name "beryllium"^^xsd:string ;
+    :symbol "Be"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Bh
+:Bh rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_7 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 107 ;
+    :atomicWeight "264.0"^^xsd:float ;
+    :casRegistryID "54037-14-8"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "bohrium"^^xsd:string ;
+    :symbol "Bh"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Bi
+:Bi rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_15 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 83 ;
+    :atomicWeight "208.98038"^^xsd:float ;
+    :casRegistryID "7440-69-9"^^xsd:string ;
+    :color "lustrous reddish white"^^xsd:string ;
+    :name "bismuth"^^xsd:string ;
+    :symbol "Bi"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Bk
+:Bk rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 97 ;
+    :atomicWeight "247.0"^^xsd:float ;
+    :casRegistryID "7440-40-6"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "berkelium"^^xsd:string ;
+    :symbol "Bk"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Br
+:Br rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_17 ;
+    :period :period_4 ;
+    :standardState :liquid ;
+    :atomicNumber 35 ;
+    :atomicWeight "79.904"^^xsd:float ;
+    :casRegistryID "7726-95-6"^^xsd:string ;
+    :color "red-brown, metallic lustre when solid"^^xsd:string ;
+    :name "bromine"^^xsd:string ;
+    :symbol "Br"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#C
+:C rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_14 ;
+   :period :period_2 ;
+   :standardState :solid ;
+   :atomicNumber 6 ;
+   :atomicWeight "12.0107"^^xsd:float ;
+   :casRegistryID "7440-44-0"^^xsd:string ;
+   :color "graphite is black, diamond is colourless"^^xsd:string ;
+   :name "carbon"^^xsd:string ;
+   :symbol "C"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ca
+:Ca rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_2 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 20 ;
+    :atomicWeight "40.078"^^xsd:float ;
+    :casRegistryID "7440-70-2"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "calcium"^^xsd:string ;
+    :symbol "Ca"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cd
+:Cd rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_12 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 48 ;
+    :atomicWeight "112.411"^^xsd:float ;
+    :casRegistryID "7440-43-9"^^xsd:string ;
+    :color "silvery grey metallic"^^xsd:string ;
+    :name "cadmium"^^xsd:string ;
+    :symbol "Cd"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ce
+:Ce rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 58 ;
+    :atomicWeight "140.116"^^xsd:float ;
+    :casRegistryID "7440-45-1"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "cerium"^^xsd:string ;
+    :symbol "Ce"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cf
+:Cf rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 98 ;
+    :atomicWeight "251.0"^^xsd:float ;
+    :casRegistryID "7440-71-3"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "californium"^^xsd:string ;
+    :symbol "Cf"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cl
+:Cl rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_17 ;
+    :period :period_3 ;
+    :standardState :gas ;
+    :atomicNumber 17 ;
+    :atomicWeight "35.453"^^xsd:float ;
+    :casRegistryID "7782-50-5"^^xsd:string ;
+    :color "yellowish green"^^xsd:string ;
+    :name "chlorine"^^xsd:string ;
+    :symbol "Cl"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cm
+:Cm rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 96 ;
+    :atomicWeight "247.0"^^xsd:float ;
+    :casRegistryID "7440-51-9"^^xsd:string ;
+    :color "silver"^^xsd:string ;
+    :name "curium"^^xsd:string ;
+    :symbol "Cm"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Co
+:Co rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_9 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 27 ;
+    :atomicWeight "58.9332"^^xsd:float ;
+    :casRegistryID "7440-48-4"^^xsd:string ;
+    :color "lustrous, metallic, greyish tinge"^^xsd:string ;
+    :name "cobalt"^^xsd:string ;
+    :symbol "Co"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cr
+:Cr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_6 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 24 ;
+    :atomicWeight "51.9961"^^xsd:float ;
+    :casRegistryID "7440-47-3"^^xsd:string ;
+    :color "silvery metallic"^^xsd:string ;
+    :name "chromium"^^xsd:string ;
+    :symbol "Cr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cs
+:Cs rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_1 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 55 ;
+    :atomicWeight "132.90546"^^xsd:float ;
+    :casRegistryID "7440-46-2"^^xsd:string ;
+    :color "silvery gold"^^xsd:string ;
+    :name "caesium"^^xsd:string ;
+    :symbol "Cs"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Cu
+:Cu rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_11 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 29 ;
+    :atomicWeight "63.546"^^xsd:float ;
+    :casRegistryID "7440-50-8"^^xsd:string ;
+    :color "copper, metallic"^^xsd:string ;
+    :name "copper"^^xsd:string ;
+    :symbol "Cu"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Db
+:Db rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_5 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 105 ;
+    :atomicWeight "262.0"^^xsd:float ;
+    :casRegistryID "53850-35-4"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "dubnium"^^xsd:string ;
+    :symbol "Db"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Dy
+:Dy rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 66 ;
+    :atomicWeight "162.5"^^xsd:float ;
+    :casRegistryID "7429-91-6"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "dysprosium"^^xsd:string ;
+    :symbol "Dy"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Er
+:Er rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 68 ;
+    :atomicWeight "167.259"^^xsd:float ;
+    :casRegistryID "7440-52-0"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "erbium"^^xsd:string ;
+    :symbol "Er"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Es
+:Es rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 99 ;
+    :atomicWeight "252.0"^^xsd:float ;
+    :casRegistryID "7429-92-7"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "einsteinium"^^xsd:string ;
+    :symbol "Es"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Eu
+:Eu rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 63 ;
+    :atomicWeight "151.964"^^xsd:float ;
+    :casRegistryID "7440-53-1"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "europium"^^xsd:string ;
+    :symbol "Eu"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#F
+:F rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_17 ;
+   :period :period_2 ;
+   :standardState :gas ;
+   :atomicNumber 9 ;
+   :atomicWeight "18.998404"^^xsd:float ;
+   :casRegistryID "7782-41-4"^^xsd:string ;
+   :color "pale yellow"^^xsd:string ;
+   :name "fluorine"^^xsd:string ;
+   :symbol "F"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Fe
+:Fe rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_8 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 26 ;
+    :atomicWeight "55.845"^^xsd:float ;
+    :casRegistryID "7439-89-6"^^xsd:string ;
+    :color "lustrous, metallic, greyish tinge"^^xsd:string ;
+    :name "iron"^^xsd:string ;
+    :symbol "Fe"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Fm
+:Fm rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 100 ;
+    :atomicWeight "257.0"^^xsd:float ;
+    :casRegistryID "7440-72-4"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "fermium"^^xsd:string ;
+    :symbol "Fm"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Fr
+:Fr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_1 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 87 ;
+    :atomicWeight "223.0"^^xsd:float ;
+    :casRegistryID "7440-73-5"^^xsd:string ;
+    :color "metallic"^^xsd:string ;
+    :name "francium"^^xsd:string ;
+    :symbol "Fr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ga
+:Ga rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_13 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 31 ;
+    :atomicWeight "69.723"^^xsd:float ;
+    :casRegistryID "7440-55-3"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "gallium"^^xsd:string ;
+    :symbol "Ga"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Gd
+:Gd rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 64 ;
+    :atomicWeight "157.25"^^xsd:float ;
+    :casRegistryID "7440-54-2"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "gadolinium"^^xsd:string ;
+    :symbol "Gd"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ge
+:Ge rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Semi-metallic ;
+    :group :group_14 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 32 ;
+    :atomicWeight "72.64"^^xsd:float ;
+    :casRegistryID "7440-56-4"^^xsd:string ;
+    :color "greyish white"^^xsd:string ;
+    :name "germanium"^^xsd:string ;
+    :symbol "Ge"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#H
+:H rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :s-block ;
+   :classification :Non-metallic ;
+   :group :group_1 ;
+   :period :period_1 ;
+   :standardState :gas ;
+   :atomicNumber 1 ;
+   :atomicWeight "1.00794"^^xsd:float ;
+   :casRegistryID "1333-74-0"^^xsd:string ;
+   :color "colourless"^^xsd:string ;
+   :name "hydrogen"^^xsd:string ;
+   :symbol "H"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#He
+:He rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_18 ;
+    :period :period_1 ;
+    :standardState :gas ;
+    :atomicNumber 2 ;
+    :atomicWeight "4.002602"^^xsd:float ;
+    :casRegistryID "7440-59-7"^^xsd:string ;
+    :color "colourless"^^xsd:string ;
+    :name "helium"^^xsd:string ;
+    :symbol "He"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Hf
+:Hf rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_4 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 72 ;
+    :atomicWeight "178.49"^^xsd:float ;
+    :casRegistryID "7440-58-6"^^xsd:string ;
+    :color "grey steel"^^xsd:string ;
+    :name "hafnium"^^xsd:string ;
+    :symbol "Hf"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Hg
+:Hg rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_12 ;
+    :period :period_6 ;
+    :standardState :liquid ;
+    :atomicNumber 80 ;
+    :atomicWeight "200.59"^^xsd:float ;
+    :casRegistryID "7439-97-6"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "mercury"^^xsd:string ;
+    :symbol "Hg"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ho
+:Ho rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 67 ;
+    :atomicWeight "164.93031"^^xsd:float ;
+    :casRegistryID "7440-60-0"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "holmium"^^xsd:string ;
+    :symbol "Ho"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Hs
+:Hs rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_8 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 108 ;
+    :atomicWeight "269.0"^^xsd:float ;
+    :casRegistryID "54037-57-9"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "hassium"^^xsd:string ;
+    :symbol "Hs"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#I
+:I rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_17 ;
+   :period :period_5 ;
+   :standardState :solid ;
+   :atomicNumber 53 ;
+   :atomicWeight "126.90447"^^xsd:float ;
+   :casRegistryID "7553-56-2"^^xsd:string ;
+   :color "violet-dark grey, lustrous"^^xsd:string ;
+   :name "iodine"^^xsd:string ;
+   :symbol "I"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#In
+:In rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_13 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 49 ;
+    :atomicWeight "114.818"^^xsd:float ;
+    :casRegistryID "7440-74-6"^^xsd:string ;
+    :color "silvery lustrous grey"^^xsd:string ;
+    :name "indium"^^xsd:string ;
+    :symbol "In"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ir
+:Ir rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_9 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 77 ;
+    :atomicWeight "192.217"^^xsd:float ;
+    :casRegistryID "7439-88-5"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "iridium"^^xsd:string ;
+    :symbol "Ir"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#K
+:K rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :s-block ;
+   :classification :Metallic ;
+   :group :group_1 ;
+   :period :period_4 ;
+   :standardState :solid ;
+   :atomicNumber 19 ;
+   :atomicWeight "39.0983"^^xsd:float ;
+   :casRegistryID "7440-09-7"^^xsd:string ;
+   :color "silvery white"^^xsd:string ;
+   :name "potassium"^^xsd:string ;
+   :symbol "K"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Kr
+:Kr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_18 ;
+    :period :period_4 ;
+    :standardState :gas ;
+    :atomicNumber 36 ;
+    :atomicWeight "83.798"^^xsd:float ;
+    :casRegistryID "7439-90-9"^^xsd:string ;
+    :color "colourless"^^xsd:string ;
+    :name "krypton"^^xsd:string ;
+    :symbol "Kr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#La
+:La rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 57 ;
+    :atomicWeight "138.9055"^^xsd:float ;
+    :casRegistryID "7439-91-0"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "lanthanum"^^xsd:string ;
+    :symbol "La"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Li
+:Li rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_1 ;
+    :period :period_2 ;
+    :standardState :solid ;
+    :atomicNumber 3 ;
+    :atomicWeight "6.941"^^xsd:float ;
+    :casRegistryID "7439-93-2"^^xsd:string ;
+    :color "silvery white/grey"^^xsd:string ;
+    :name "lithium"^^xsd:string ;
+    :symbol "Li"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Lr
+:Lr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_3 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 103 ;
+    :atomicWeight "262.0"^^xsd:float ;
+    :casRegistryID "22537-19-5"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "lawrencium"^^xsd:string ;
+    :symbol "Lr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Lu
+:Lu rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_3 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 71 ;
+    :atomicWeight "174.967"^^xsd:float ;
+    :casRegistryID "7439-94-3"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "lutetium"^^xsd:string ;
+    :symbol "Lu"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Md
+:Md rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 101 ;
+    :atomicWeight "258.0"^^xsd:float ;
+    :casRegistryID "7440-11-1"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "mendelevium"^^xsd:string ;
+    :symbol "Md"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Metallic
+:Metallic rdf:type owl:NamedIndividual ,
+                   :Classification .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Mg
+:Mg rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_2 ;
+    :period :period_3 ;
+    :standardState :solid ;
+    :atomicNumber 12 ;
+    :atomicWeight "24.305"^^xsd:float ;
+    :casRegistryID "7439-95-4"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "magnesium"^^xsd:string ;
+    :symbol "Mg"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Mn
+:Mn rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_7 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 25 ;
+    :atomicWeight "54.93805"^^xsd:float ;
+    :casRegistryID "7439-96-5"^^xsd:string ;
+    :color "silvery metallic"^^xsd:string ;
+    :name "manganese"^^xsd:string ;
+    :symbol "Mn"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Mo
+:Mo rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_6 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 42 ;
+    :atomicWeight "95.94"^^xsd:float ;
+    :casRegistryID "7439-98-7"^^xsd:string ;
+    :color "grey metallic"^^xsd:string ;
+    :name "molybdenum"^^xsd:string ;
+    :symbol "Mo"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Mt
+:Mt rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_9 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 109 ;
+    :atomicWeight "268.0"^^xsd:float ;
+    :casRegistryID "54038-01-6"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "meitnerium"^^xsd:string ;
+    :symbol "Mt"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#N
+:N rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_15 ;
+   :period :period_2 ;
+   :standardState :gas ;
+   :atomicNumber 7 ;
+   :atomicWeight "14.0067"^^xsd:float ;
+   :casRegistryID "7727-37-9"^^xsd:string ;
+   :color "colourless"^^xsd:string ;
+   :name "nitrogen"^^xsd:string ;
+   :symbol "N"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Na
+:Na rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_1 ;
+    :period :period_3 ;
+    :standardState :solid ;
+    :atomicNumber 11 ;
+    :atomicWeight "22.98977"^^xsd:float ;
+    :casRegistryID "7440-23-5"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "sodium"^^xsd:string ;
+    :symbol "Na"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Nb
+:Nb rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_5 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 41 ;
+    :atomicWeight "92.90638"^^xsd:float ;
+    :casRegistryID "7440-03-1"^^xsd:string ;
+    :color "grey metallic"^^xsd:string ;
+    :name "niobium"^^xsd:string ;
+    :symbol "Nb"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Nd
+:Nd rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 60 ;
+    :atomicWeight "144.24"^^xsd:float ;
+    :casRegistryID "7440-00-8"^^xsd:string ;
+    :color "silvery white, yellowish tinge"^^xsd:string ;
+    :name "neodymium"^^xsd:string ;
+    :symbol "Nd"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ne
+:Ne rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_18 ;
+    :period :period_2 ;
+    :standardState :gas ;
+    :atomicNumber 10 ;
+    :atomicWeight "20.1797"^^xsd:float ;
+    :casRegistryID "7440-01-9"^^xsd:string ;
+    :color "colourless"^^xsd:string ;
+    :name "neon"^^xsd:string ;
+    :symbol "Ne"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ni
+:Ni rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_10 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 28 ;
+    :atomicWeight "58.6934"^^xsd:float ;
+    :casRegistryID "7440-02-0"^^xsd:string ;
+    :color "lustrous, metallic, silvery tinge"^^xsd:string ;
+    :name "nickel"^^xsd:string ;
+    :symbol "Ni"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#No
+:No rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 102 ;
+    :atomicWeight "259.0"^^xsd:float ;
+    :casRegistryID "10028-14-5"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "nobelium"^^xsd:string ;
+    :symbol "No"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Non-metallic
+:Non-metallic rdf:type owl:NamedIndividual ,
+                       :Classification .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Np
+:Np rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 93 ;
+    :atomicWeight "237.0"^^xsd:float ;
+    :casRegistryID "7439-99-8"^^xsd:string ;
+    :color "silvery metallic"^^xsd:string ;
+    :name "neptunium"^^xsd:string ;
+    :symbol "Np"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#O
+:O rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_16 ;
+   :period :period_2 ;
+   :standardState :gas ;
+   :atomicNumber 8 ;
+   :atomicWeight "15.9994"^^xsd:float ;
+   :casRegistryID "7782-44-7"^^xsd:string ;
+   :color "colourless as a gas, liquid is pale blue"^^xsd:string ;
+   :name "oxygen"^^xsd:string ;
+   :symbol "O"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Os
+:Os rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_8 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 76 ;
+    :atomicWeight "190.23"^^xsd:float ;
+    :casRegistryID "7440-04-2"^^xsd:string ;
+    :color "bluish grey"^^xsd:string ;
+    :name "osmium"^^xsd:string ;
+    :symbol "Os"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#P
+:P rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_15 ;
+   :period :period_3 ;
+   :standardState :solid ;
+   :atomicNumber 15 ;
+   :atomicWeight "30.97376"^^xsd:float ;
+   :casRegistryID "7723-14-0"^^xsd:string ;
+   :color "colourless/red/silvery white"^^xsd:string ;
+   :name "phosphorus"^^xsd:string ;
+   :symbol "P"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pa
+:Pa rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 91 ;
+    :atomicWeight "231.03587"^^xsd:float ;
+    :casRegistryID "7440-13-3"^^xsd:string ;
+    :color "silvery metallic"^^xsd:string ;
+    :name "protactinium"^^xsd:string ;
+    :symbol "Pa"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pb
+:Pb rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_14 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 82 ;
+    :atomicWeight "207.2"^^xsd:float ;
+    :casRegistryID "7439-92-1"^^xsd:string ;
+    :color "bluish white"^^xsd:string ;
+    :name "lead"^^xsd:string ;
+    :symbol "Pb"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pd
+:Pd rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_10 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 46 ;
+    :atomicWeight "106.42"^^xsd:float ;
+    :casRegistryID "7440-05-3"^^xsd:string ;
+    :color "silvery white metallic"^^xsd:string ;
+    :name "palladium"^^xsd:string ;
+    :symbol "Pd"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pm
+:Pm rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 61 ;
+    :atomicWeight "145.0"^^xsd:float ;
+    :casRegistryID "7440-12-2"^^xsd:string ;
+    :color "metallic"^^xsd:string ;
+    :name "promethium"^^xsd:string ;
+    :symbol "Pm"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Po
+:Po rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_16 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 84 ;
+    :atomicWeight "209.0"^^xsd:float ;
+    :casRegistryID "7440-08-6"^^xsd:string ;
+    :color "silvery"^^xsd:string ;
+    :name "polonium"^^xsd:string ;
+    :symbol "Po"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pr
+:Pr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 59 ;
+    :atomicWeight "140.90765"^^xsd:float ;
+    :casRegistryID "7440-10-0"^^xsd:string ;
+    :color "silvery white, yellowish tinge"^^xsd:string ;
+    :name "praseodymium"^^xsd:string ;
+    :symbol "Pr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pt
+:Pt rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_10 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 78 ;
+    :atomicWeight "195.078"^^xsd:float ;
+    :casRegistryID "7440-06-4"^^xsd:string ;
+    :color "greyish white"^^xsd:string ;
+    :name "platinum"^^xsd:string ;
+    :symbol "Pt"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Pu
+:Pu rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 94 ;
+    :atomicWeight "244.0"^^xsd:float ;
+    :casRegistryID "7440-07-5"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "plutonium"^^xsd:string ;
+    :symbol "Pu"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ra
+:Ra rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_2 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 88 ;
+    :atomicWeight "226.0"^^xsd:float ;
+    :casRegistryID "7440-14-4"^^xsd:string ;
+    :color "metallic"^^xsd:string ;
+    :name "radium"^^xsd:string ;
+    :symbol "Ra"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Rb
+:Rb rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_1 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 37 ;
+    :atomicWeight "85.4678"^^xsd:float ;
+    :casRegistryID "7440-17-7"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "rubidium"^^xsd:string ;
+    :symbol "Rb"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Re
+:Re rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_7 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 75 ;
+    :atomicWeight "186.207"^^xsd:float ;
+    :casRegistryID "7440-15-5"^^xsd:string ;
+    :color "greyish white"^^xsd:string ;
+    :name "rhenium"^^xsd:string ;
+    :symbol "Re"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Rf
+:Rf rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_4 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 104 ;
+    :atomicWeight "261.0"^^xsd:float ;
+    :casRegistryID "53850-36-5"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "rutherfordium"^^xsd:string ;
+    :symbol "Rf"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Rh
+:Rh rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_9 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 45 ;
+    :atomicWeight "102.9055"^^xsd:float ;
+    :casRegistryID "7440-16-6"^^xsd:string ;
+    :color "silvery white metallic"^^xsd:string ;
+    :name "rhodium"^^xsd:string ;
+    :symbol "Rh"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Rn
+:Rn rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_18 ;
+    :period :period_6 ;
+    :standardState :gas ;
+    :atomicNumber 86 ;
+    :atomicWeight "222.0"^^xsd:float ;
+    :casRegistryID "10043-92-2"^^xsd:string ;
+    :color "colourless"^^xsd:string ;
+    :name "radon"^^xsd:string ;
+    :symbol "Rn"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ru
+:Ru rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_8 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 44 ;
+    :atomicWeight "101.07"^^xsd:float ;
+    :casRegistryID "7440-18-8"^^xsd:string ;
+    :color "silvery white metallic"^^xsd:string ;
+    :name "ruthenium"^^xsd:string ;
+    :symbol "Ru"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#S
+:S rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :p-block ;
+   :classification :Non-metallic ;
+   :group :group_16 ;
+   :period :period_3 ;
+   :standardState :solid ;
+   :atomicNumber 16 ;
+   :atomicWeight "32.065"^^xsd:float ;
+   :casRegistryID "7704-34-9"^^xsd:string ;
+   :color "lemon yellow"^^xsd:string ;
+   :name "sulpher"^^xsd:string ;
+   :symbol "S"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Sb
+:Sb rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Semi-metallic ;
+    :group :group_15 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 51 ;
+    :atomicWeight "121.76"^^xsd:float ;
+    :casRegistryID "7440-36-0"^^xsd:string ;
+    :color "silvery lustrous grey"^^xsd:string ;
+    :name "antimony"^^xsd:string ;
+    :symbol "Sb"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Sc
+:Sc rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_3 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 21 ;
+    :atomicWeight "44.95591"^^xsd:float ;
+    :casRegistryID "7440-20-2"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "scandium"^^xsd:string ;
+    :symbol "Sc"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Se
+:Se rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_16 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 34 ;
+    :atomicWeight "78.96"^^xsd:float ;
+    :casRegistryID "7782-49-2"^^xsd:string ;
+    :color "grey, metallic lustre"^^xsd:string ;
+    :name "selenium"^^xsd:string ;
+    :symbol "Se"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Semi-metallic
+:Semi-metallic rdf:type owl:NamedIndividual ,
+                        :Classification .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Sg
+:Sg rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_6 ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 106 ;
+    :atomicWeight "266.0"^^xsd:float ;
+    :casRegistryID "54038-81-2"^^xsd:string ;
+    :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+    :name "seaborgium"^^xsd:string ;
+    :symbol "Sg"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Si
+:Si rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Semi-metallic ;
+    :group :group_14 ;
+    :period :period_3 ;
+    :standardState :solid ;
+    :atomicNumber 14 ;
+    :atomicWeight "28.0855"^^xsd:float ;
+    :casRegistryID "7440-21-3"^^xsd:string ;
+    :color "dark grey with a bluish tinge"^^xsd:string ;
+    :name "silicon"^^xsd:string ;
+    :symbol "Si"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Sm
+:Sm rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 62 ;
+    :atomicWeight "150.36"^^xsd:float ;
+    :casRegistryID "7440-19-9"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "samarium"^^xsd:string ;
+    :symbol "Sm"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Sn
+:Sn rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_14 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 50 ;
+    :atomicWeight "118.71"^^xsd:float ;
+    :casRegistryID "7440-31-5"^^xsd:string ;
+    :color "silvery lustrous grey"^^xsd:string ;
+    :name "tin"^^xsd:string ;
+    :symbol "Sn"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Sr
+:Sr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :s-block ;
+    :classification :Metallic ;
+    :group :group_2 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 38 ;
+    :atomicWeight "87.62"^^xsd:float ;
+    :casRegistryID "7440-24-6"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "strontium"^^xsd:string ;
+    :symbol "Sr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ta
+:Ta rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_5 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 73 ;
+    :atomicWeight "180.9479"^^xsd:float ;
+    :casRegistryID "7440-25-7"^^xsd:string ;
+    :color "grey blue"^^xsd:string ;
+    :name "tantalum"^^xsd:string ;
+    :symbol "Ta"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Tb
+:Tb rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 65 ;
+    :atomicWeight "158.92534"^^xsd:float ;
+    :casRegistryID "7440-27-9"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "terbium"^^xsd:string ;
+    :symbol "Tb"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Tc
+:Tc rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_7 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 43 ;
+    :atomicWeight "98.0"^^xsd:float ;
+    :casRegistryID "7440-26-8"^^xsd:string ;
+    :color "silvery grey metallic"^^xsd:string ;
+    :name "technetium"^^xsd:string ;
+    :symbol "Tc"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Te
+:Te rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Semi-metallic ;
+    :group :group_16 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 52 ;
+    :atomicWeight "127.6"^^xsd:float ;
+    :casRegistryID "13494-80-9"^^xsd:string ;
+    :color "silvery lustrous grey"^^xsd:string ;
+    :name "tellurium"^^xsd:string ;
+    :symbol "Te"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Th
+:Th rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_actinoid ;
+    :period :period_7 ;
+    :standardState :solid ;
+    :atomicNumber 90 ;
+    :atomicWeight "232.0381"^^xsd:float ;
+    :casRegistryID "7440-29-1"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "thorium"^^xsd:string ;
+    :symbol "Th"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Ti
+:Ti rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_4 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 22 ;
+    :atomicWeight "47.867"^^xsd:float ;
+    :casRegistryID "7440-32-6"^^xsd:string ;
+    :color "silvery metallic"^^xsd:string ;
+    :name "titanium"^^xsd:string ;
+    :symbol "Ti"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Tl
+:Tl rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Metallic ;
+    :group :group_13 ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 81 ;
+    :atomicWeight "204.3833"^^xsd:float ;
+    :casRegistryID "7440-28-0"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "thallium"^^xsd:string ;
+    :symbol "Tl"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Tm
+:Tm rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 69 ;
+    :atomicWeight "168.9342"^^xsd:float ;
+    :casRegistryID "7440-30-4"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "thulium"^^xsd:string ;
+    :symbol "Tm"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#U
+:U rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :f-block ;
+   :classification :Metallic ;
+   :group :group_actinoid ;
+   :period :period_7 ;
+   :standardState :solid ;
+   :atomicNumber 92 ;
+   :atomicWeight "238.02892"^^xsd:float ;
+   :casRegistryID "7440-61-1"^^xsd:string ;
+   :color "metallic grey"^^xsd:string ;
+   :name "uranium"^^xsd:string ;
+   :symbol "U"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uub
+:Uub rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :d-block ;
+     :classification :Metallic ;
+     :group :group_12 ;
+     :period :period_7 ;
+     :standardState :liquid ;
+     :atomicNumber 112 ;
+     :atomicWeight "285.0"^^xsd:float ;
+     :casRegistryID "54084-26-3"^^xsd:string ;
+     :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+     :name "ununbium"^^xsd:string ;
+     :symbol "Uub"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uuh
+:Uuh rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :p-block ;
+     :classification :Metallic ;
+     :group :group_16 ;
+     :period :period_7 ;
+     :standardState :solid ;
+     :atomicNumber 116 ;
+     :casRegistryID "54100-71-9"^^xsd:string ;
+     :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+     :name "ununhexium"^^xsd:string ;
+     :symbol "Uuh"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uun
+:Uun rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :d-block ;
+     :classification :Metallic ;
+     :group :group_10 ;
+     :period :period_7 ;
+     :standardState :solid ;
+     :atomicNumber 110 ;
+     :atomicWeight "271.0"^^xsd:float ;
+     :casRegistryID "54083-77-1"^^xsd:string ;
+     :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+     :name "ununnilium"^^xsd:string ;
+     :symbol "Uun"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uuo
+:Uuo rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :p-block ;
+     :classification :Non-metallic ;
+     :group :group_18 ;
+     :period :period_7 ;
+     :standardState :gas ;
+     :atomicNumber 118 ;
+     :casRegistryID "54144-19-3"^^xsd:string ;
+     :color "unknown, but probably a colourless gas"^^xsd:string ;
+     :name "ununoctium"^^xsd:string ;
+     :symbol "Uuo"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uup
+:Uup rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :p-block ;
+     :group :group_15 ;
+     :period :period_7 ;
+     :standardState :state_unknown ;
+     :atomicNumber 115 ;
+     :name "ununpentium"^^xsd:string ;
+     :symbol "Uup"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uuq
+:Uuq rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :p-block ;
+     :classification :Metallic ;
+     :group :group_14 ;
+     :period :period_7 ;
+     :standardState :solid ;
+     :atomicNumber 114 ;
+     :atomicWeight "289.0"^^xsd:float ;
+     :casRegistryID "54085-16-4"^^xsd:string ;
+     :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+     :name "ununquadium"^^xsd:string ;
+     :symbol "Uuq"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uus
+:Uus rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :p-block ;
+     :group :group_17 ;
+     :period :period_7 ;
+     :standardState :state_unknown ;
+     :atomicNumber 117 ;
+     :name "ununseptium"^^xsd:string ;
+     :symbol "Uus"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uut
+:Uut rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :p-block ;
+     :group :group_13 ;
+     :period :period_7 ;
+     :standardState :state_unknown ;
+     :atomicNumber 113 ;
+     :name "ununtrium"^^xsd:string ;
+     :symbol "Uut"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Uuu
+:Uuu rdf:type owl:NamedIndividual ,
+              :Element ;
+     :block :d-block ;
+     :classification :Metallic ;
+     :group :group_11 ;
+     :period :period_7 ;
+     :standardState :solid ;
+     :atomicNumber 111 ;
+     :atomicWeight "272.0"^^xsd:float ;
+     :casRegistryID "54386-24-2"^^xsd:string ;
+     :color "unknown, but probably metallic and silvery white or grey in appearance"^^xsd:string ;
+     :name "unununium"^^xsd:string ;
+     :symbol "Uuu"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#V
+:V rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :d-block ;
+   :classification :Metallic ;
+   :group :group_5 ;
+   :period :period_4 ;
+   :standardState :solid ;
+   :atomicNumber 23 ;
+   :atomicWeight "50.9415"^^xsd:float ;
+   :casRegistryID "7440-62-2"^^xsd:string ;
+   :color "silvery grey metallic"^^xsd:string ;
+   :name "vanadium"^^xsd:string ;
+   :symbol "V"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#W
+:W rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :d-block ;
+   :classification :Metallic ;
+   :group :group_6 ;
+   :period :period_6 ;
+   :standardState :solid ;
+   :atomicNumber 74 ;
+   :atomicWeight "183.84"^^xsd:float ;
+   :casRegistryID "7440-33-7"^^xsd:string ;
+   :color "greyish white, lustrous"^^xsd:string ;
+   :name "tungsten"^^xsd:string ;
+   :symbol "W"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Xe
+:Xe rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :p-block ;
+    :classification :Non-metallic ;
+    :group :group_18 ;
+    :period :period_5 ;
+    :standardState :gas ;
+    :atomicNumber 54 ;
+    :atomicWeight "131.293"^^xsd:float ;
+    :casRegistryID "7440-63-3"^^xsd:string ;
+    :color "colourless"^^xsd:string ;
+    :name "xenon"^^xsd:string ;
+    :symbol "Xe"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Y
+:Y rdf:type owl:NamedIndividual ,
+            :Element ;
+   :block :d-block ;
+   :classification :Metallic ;
+   :group :group_3 ;
+   :period :period_5 ;
+   :standardState :solid ;
+   :atomicNumber 39 ;
+   :atomicWeight "88.90585"^^xsd:float ;
+   :casRegistryID "7440-65-5"^^xsd:string ;
+   :color "silvery white"^^xsd:string ;
+   :name "yttrium"^^xsd:string ;
+   :symbol "Y"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Yb
+:Yb rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :f-block ;
+    :classification :Metallic ;
+    :group :group_lanthanoid ;
+    :period :period_6 ;
+    :standardState :solid ;
+    :atomicNumber 70 ;
+    :atomicWeight "173.04"^^xsd:float ;
+    :casRegistryID "7440-64-4"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "ytterbium"^^xsd:string ;
+    :symbol "Yb"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Zn
+:Zn rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_12 ;
+    :period :period_4 ;
+    :standardState :solid ;
+    :atomicNumber 30 ;
+    :atomicWeight "65.409"^^xsd:float ;
+    :casRegistryID "7440-66-6"^^xsd:string ;
+    :color "bluish pale grey"^^xsd:string ;
+    :name "zinc"^^xsd:string ;
+    :symbol "Zn"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#Zr
+:Zr rdf:type owl:NamedIndividual ,
+             :Element ;
+    :block :d-block ;
+    :classification :Metallic ;
+    :group :group_4 ;
+    :period :period_5 ;
+    :standardState :solid ;
+    :atomicNumber 40 ;
+    :atomicWeight "91.224"^^xsd:float ;
+    :casRegistryID "7440-67-7"^^xsd:string ;
+    :color "silvery white"^^xsd:string ;
+    :name "zirconium"^^xsd:string ;
+    :symbol "Zr"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#d-block
+:d-block rdf:type owl:NamedIndividual ,
+                  :Block .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#f-block
+:f-block rdf:type owl:NamedIndividual ,
+                  :Block .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#gas
+:gas rdf:type owl:NamedIndividual ,
+              :StandardState .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_1
+:group_1 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Cs ,
+                  :Fr ,
+                  :H ,
+                  :K ,
+                  :Li ,
+                  :Na ,
+                  :Rb ;
+         :name "Alkali metal"^^xsd:string ;
+         :number 1 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_10
+:group_10 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :Ni ,
+                   :Pd ,
+                   :Pt ,
+                   :Uun ;
+          :number 10 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_11
+:group_11 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :Ag ,
+                   :Au ,
+                   :Cu ,
+                   :Uuu ;
+          :name "Coinage metal"^^xsd:string ;
+          :number 11 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_12
+:group_12 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :Cd ,
+                   :Hg ,
+                   :Uub ,
+                   :Zn ;
+          :number 12 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_13
+:group_13 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :Al ,
+                   :B ,
+                   :Ga ,
+                   :In ,
+                   :Tl ,
+                   :Uut ;
+          :number 13 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_14
+:group_14 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :C ,
+                   :Ge ,
+                   :Pb ,
+                   :Si ,
+                   :Sn ,
+                   :Uuq ;
+          :number 14 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_15
+:group_15 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :As ,
+                   :Bi ,
+                   :N ,
+                   :P ,
+                   :Sb ,
+                   :Uup ;
+          :name "Pnictogen"^^xsd:string ;
+          :number 15 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_16
+:group_16 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :O ,
+                   :Po ,
+                   :S ,
+                   :Se ,
+                   :Te ,
+                   :Uuh ;
+          :name "Chalcogen"^^xsd:string ;
+          :number 16 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_17
+:group_17 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :At ,
+                   :Br ,
+                   :Cl ,
+                   :F ,
+                   :I ,
+                   :Uus ;
+          :name "Halogen"^^xsd:string ;
+          :number 17 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_18
+:group_18 rdf:type owl:NamedIndividual ,
+                   :Group ;
+          :element :Ar ,
+                   :He ,
+                   :Kr ,
+                   :Ne ,
+                   :Rn ,
+                   :Uuo ,
+                   :Xe ;
+          :name "Noble gas"^^xsd:string ;
+          :number 18 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_2
+:group_2 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Ba ,
+                  :Be ,
+                  :Ca ,
+                  :Mg ,
+                  :Ra ,
+                  :Sr ;
+         :name "Alkaline earth metal"^^xsd:string ;
+         :number 2 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_3
+:group_3 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Lr ,
+                  :Lu ,
+                  :Sc ,
+                  :Y ;
+         :number 3 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_4
+:group_4 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Hf ,
+                  :Rf ,
+                  :Ti ,
+                  :Zr ;
+         :number 4 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_5
+:group_5 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Db ,
+                  :Nb ,
+                  :Ta ,
+                  :V ;
+         :number 5 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_6
+:group_6 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Cr ,
+                  :Mo ,
+                  :Sg ,
+                  :W ;
+         :number 6 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_7
+:group_7 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Bh ,
+                  :Mn ,
+                  :Re ,
+                  :Tc ;
+         :number 7 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_8
+:group_8 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Fe ,
+                  :Hs ,
+                  :Os ,
+                  :Ru ;
+         :number 8 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_9
+:group_9 rdf:type owl:NamedIndividual ,
+                  :Group ;
+         :element :Co ,
+                  :Ir ,
+                  :Mt ,
+                  :Rh ;
+         :number 9 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_actinoid
+:group_actinoid rdf:type owl:NamedIndividual ,
+                         :Group ;
+                :element :Ac ,
+                         :Am ,
+                         :Bk ,
+                         :Cf ,
+                         :Cm ,
+                         :Es ,
+                         :Fm ,
+                         :Md ,
+                         :No ,
+                         :Np ,
+                         :Pa ,
+                         :Pu ,
+                         :Th ,
+                         :U ;
+                :name "Actinoid"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#group_lanthanoid
+:group_lanthanoid rdf:type owl:NamedIndividual ,
+                           :Group ;
+                  :element :Ce ,
+                           :Dy ,
+                           :Er ,
+                           :Eu ,
+                           :Gd ,
+                           :Ho ,
+                           :La ,
+                           :Nd ,
+                           :Pm ,
+                           :Pr ,
+                           :Sm ,
+                           :Tb ,
+                           :Tm ,
+                           :Yb ;
+                  :name "Lanthanoid"^^xsd:string .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#liquid
+:liquid rdf:type owl:NamedIndividual ,
+                 :StandardState .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#p-block
+:p-block rdf:type owl:NamedIndividual ,
+                  :Block .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_1
+:period_1 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :H ,
+                   :He ;
+          :number 1 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_2
+:period_2 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :B ,
+                   :Be ,
+                   :C ,
+                   :F ,
+                   :Li ,
+                   :N ,
+                   :Ne ,
+                   :O ;
+          :number 2 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_3
+:period_3 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :Al ,
+                   :Ar ,
+                   :Cl ,
+                   :Mg ,
+                   :Na ,
+                   :P ,
+                   :S ,
+                   :Si ;
+          :number 3 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_4
+:period_4 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :As ,
+                   :Br ,
+                   :Ca ,
+                   :Co ,
+                   :Cr ,
+                   :Cu ,
+                   :Fe ,
+                   :Ga ,
+                   :Ge ,
+                   :K ,
+                   :Kr ,
+                   :Mn ,
+                   :Ni ,
+                   :Sc ,
+                   :Se ,
+                   :Ti ,
+                   :V ,
+                   :Zn ;
+          :number 4 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_5
+:period_5 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :Ag ,
+                   :Cd ,
+                   :I ,
+                   :In ,
+                   :Mo ,
+                   :Nb ,
+                   :Pd ,
+                   :Rb ,
+                   :Rh ,
+                   :Ru ,
+                   :Sb ,
+                   :Sn ,
+                   :Sr ,
+                   :Tc ,
+                   :Te ,
+                   :Xe ,
+                   :Y ,
+                   :Zr ;
+          :number 5 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_6
+:period_6 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :At ,
+                   :Au ,
+                   :Ba ,
+                   :Bi ,
+                   :Ce ,
+                   :Cs ,
+                   :Dy ,
+                   :Er ,
+                   :Eu ,
+                   :Gd ,
+                   :Hf ,
+                   :Hg ,
+                   :Ho ,
+                   :Ir ,
+                   :La ,
+                   :Lu ,
+                   :Nd ,
+                   :Os ,
+                   :Pb ,
+                   :Pm ,
+                   :Po ,
+                   :Pr ,
+                   :Pt ,
+                   :Re ,
+                   :Rn ,
+                   :Sm ,
+                   :Ta ,
+                   :Tb ,
+                   :Tl ,
+                   :Tm ,
+                   :W ,
+                   :Yb ;
+          :number 6 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#period_7
+:period_7 rdf:type owl:NamedIndividual ,
+                   :Period ;
+          :element :Ac ,
+                   :Am ,
+                   :Bh ,
+                   :Bk ,
+                   :Cf ,
+                   :Cm ,
+                   :Db ,
+                   :Es ,
+                   :Fm ,
+                   :Fr ,
+                   :Hs ,
+                   :Lr ,
+                   :Md ,
+                   :Mt ,
+                   :No ,
+                   :Np ,
+                   :Pa ,
+                   :Pu ,
+                   :Ra ,
+                   :Rf ,
+                   :Sg ,
+                   :Th ,
+                   :U ,
+                   :Uub ,
+                   :Uuh ,
+                   :Uun ,
+                   :Uuo ,
+                   :Uup ,
+                   :Uuq ,
+                   :Uus ,
+                   :Uut ,
+                   :Uuu ;
+          :number 7 .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#s-block
+:s-block rdf:type owl:NamedIndividual ,
+                  :Block .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#solid
+:solid rdf:type owl:NamedIndividual ,
+                :StandardState .
+
+
+###  http://www.daml.org/2003/01/periodictable/PeriodicTable#state_unknown
+:state_unknown rdf:type owl:NamedIndividual ,
+                        :StandardState .
+
+
+###  Generated by the OWL API (version 4.5.6) https://github.com/owlcs/owlapi
diff --git a/external/gc07.owl b/external/gc07.owl
new file mode 100644
index 0000000..8f996e8
--- /dev/null
+++ b/external/gc07.owl
@@ -0,0 +1,6015 @@
+<?xml version="1.0"?>
+<rdf:RDF xmlns="http://www.semanticweb.org/owl/owlapi/turtle#"
+     xml:base="http://www.semanticweb.org/owl/owlapi/turtle"
+     xmlns:cc="http://creativecommons.org/ns#"
+     xmlns:qudt="http://data.nasa.gov/qudt/owl/qudt#"
+     xmlns:pt="http://www.daml.org/2003/01/periodictable/PeriodicTable#"
+     xmlns:owl="http://www.w3.org/2002/07/owl#"
+     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
+     xmlns:skos="http://www.w3.org/2004/02/skos/core#"
+     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
+     xmlns:bfo="http://purl.obolibrary.org/obo/"
+     xmlns:unit="http://data.nasa.gov/qudt/owl/unit#"
+     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
+     xmlns:xml="http://www.w3.org/XML/1998/namespace"
+     xmlns:dcterms="http://purl.org/dc/terms/"
+     xmlns:gc="http://purl.org/gc/"
+     xmlns:foaf="http://xmlns.com/foaf/0.1/"
+     xmlns:dc="http://purl.org/dc/elements/1.1/">
+    <owl:Ontology rdf:about="http://purl.org/gc/">
+        <owl:imports rdf:resource="http://data.qudt.org/qudt/owl/1.0.0/unit.owl"/>
+        <owl:imports rdf:resource="http://www.daml.org/2003/01/periodictable/PeriodicTable.owl"/>
+        <owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0.7.0</owl:versionInfo>
+        <rdfs:comment xml:lang="en">An ontology for publishing results of computational chemistry.</rdfs:comment>
+        <dcterms:creator xml:lang="en">Chemical Semantics, Inc.</dcterms:creator>
+        <cc:license rdf:resource="http://creativecommons.org/licenses/by/3.0/"/>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <dcterms:title xml:lang="en">GNVC: Gainesville Core Ontology - standard for publishing results of computational chemistry.</dcterms:title>
+        <dc:created>2015-03-04</dc:created>
+        <dc:description rdf:datatype="http://www.w3.org/2001/XMLSchema#string">This ontology aims at complete description of typical Computational Chemistry experiment.
+
+	Gainesville Core describes:
+	- Molecular Publications
+	- Molecular Systems
+	- Molecular Calculations
+	 
+	Molecular Systems contains Molecules
+	The Molecules may have Residues (for biopolymers and polymers)
+	Molecular Calculations contain Initial Data and Results
+	The Initial Data may have Methods, Basis Sets, Functionals, etc.
+	The Results may have Energies, Wave Functions and Spectra, etc.</dc:description>
+        <rdfs:label xml:lang="en">Gainesville Core Ontology</rdfs:label>
+    </owl:Ontology>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Annotation properties
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularMechanics -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/gc/hasMolecularMechanics">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#boolean"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Calculation"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasQuantumMechanics -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/gc/hasQuantumMechanics">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#boolean"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Calculation"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/gc/isAbstract -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/gc/isAbstract">
+        <rdfs:comment xml:lang="en">This annotation should be used to mark entities as abstract.
+	Abstract entity is a defined OWL resource that from a data model should never be defined explicitly.
+
+	NOTE!
+	Since it&apos;s only a annotation property, it doesn&apos;t impact a logical definition of an Entity. Such a property should be treated as a &quot;side note&quot;.	</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">is abstract</rdfs:label>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#boolean"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/gc/termStatus -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/gc/termStatus">
+        <rdfs:comment xml:lang="en">Such a annotation contains information about defined in DMS ontology Axiom status.
+	Since it&apos;s a text based value, follwing enumerations should be used as values:
+
+	- STABLE (Entity was tested during QA process and is stable)
+	- UNSTABLE (Entity is unstable due to some reasone - shouldn&apos;t be use till fixed)
+	- TESTING (Entity is under testing process)
+	- ARCHAIC (old and unused definition - probably will be removed in comming iterations)
+	- DEPRECATED (Entity is deprecated due to some reason - should not be used)
+	- NEW (new definition)
+	- FIX (definition that was made to bring fix for some issue)
+
+	NOTE!
+	Since it&apos;s only a annotation property, it doesn&apos;t impact a logical definition of an Entity. Such a property should be treated as a &quot;side note&quot;.	</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">term status</rdfs:label>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/gc/termStatusNote -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/gc/termStatusNote">
+        <rdfs:comment xml:lang="en">This property is a status description of a particular Entity. Combined with log:termStatus contains information aboud current status of an Entity, with a information about history, changes, etc.
+
+	NOTE!
+	Since it&apos;s only a annotation property, it doesn&apos;t impact a logical definition of an Entity. Such a property should be treated as a &quot;side note&quot;.	</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">term status note</rdfs:label>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Object Properties
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purl.obolibrary.org/obo/BFO_0000124 -->
+
+    <owl:ObjectProperty rdf:about="http://purl.obolibrary.org/obo/BFO_0000124"/>
+    
+
+
+    <!-- http://purl.org/gc/IsAtomProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/IsAtomProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A generic atomic property</rdfs:comment>
+        <rdfs:label xml:lang="en">Atom Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/IsSystemProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/IsSystemProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A generic system property</rdfs:comment>
+        <rdfs:label xml:lang="en">System Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/binds -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/binds">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:comment xml:lang="en">A property that tells which atoms are bonded.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">the act of binding of atoms</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/extraGCObjectProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/extraGCObjectProperty"/>
+    
+
+
+    <!-- http://purl.org/gc/hasAtom -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAtom">
+        <rdfs:subPropertyOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000124"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://purl.org/gc/Molecule"/>
+                    <rdf:Description rdf:about="http://purl.org/gc/Residue"/>
+                </owl:unionOf>
+            </owl:Class>
+        </rdfs:domain>
+        <rdfs:range rdf:resource="http://purl.org/gc/Atom"/>
+        <owl:propertyChainAxiom rdf:parseType="Collection">
+            <rdf:Description rdf:about="http://purl.org/gc/hasResidue"/>
+            <rdf:Description rdf:about="http://purl.org/gc/hasAtom"/>
+        </owl:propertyChainAxiom>
+        <rdfs:comment xml:lang="en">A property that describes atoms comprised by a molecule or residue</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has atom</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAtomCoordinateX -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAtomCoordinateX">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasCoordinates"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes Atom X coordinate</rdfs:comment>
+        <rdfs:label xml:lang="en">Atom Coordinate X</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAtomCoordinateY -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAtomCoordinateY">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasCoordinates"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes Atom Y coordinate</rdfs:comment>
+        <rdfs:label xml:lang="en">Atom Coordinate Y</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAtomCoordinateZ -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAtomCoordinateZ">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasCoordinates"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes Atom Z coordinate</rdfs:comment>
+        <rdfs:label xml:lang="en">Atom Coordinate Z</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAtomProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAtomProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAuthor -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAuthor">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Publication"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:comment xml:lang="en">A property that describes teh author</rdfs:comment>
+        <rdfs:label xml:lang="en">Author</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAuxiliaryProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasAuxiliaryProperty">
+        <rdfs:domain rdf:resource="http://www.w3.org/2000/01/rdf-schema#Class"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Class"/>
+        <rdfs:comment>The upper property for various properties related to publications</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Auxiliary Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBasisCount -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBasisCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Basis Count.</rdfs:comment>
+        <rdfs:label xml:lang="en">The Basis Count</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBasisSet -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBasisSet">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/BasisSet"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBindingEnergy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBindingEnergy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that allows to assign the Binding Energy to the molecular system</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has binding energy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBond -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBond">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:comment xml:lang="en">A property that allows the bond to be assigned to atoms.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has bond</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBondLength -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBondLength">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that allows bond length to be assigned the a bond.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has bond length</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBondOrder -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBondOrder">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Bond"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBondType -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasBondType">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/BondTypes"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCalculatedAtomCharge -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCalculatedAtomCharge">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the atom charge calculated by a specific methodology.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has calculated atom charge</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCalculation -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCalculation">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the calculation.</rdfs:comment>
+        <rdfs:label xml:lang="en">Calculation</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCalculationOn -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCalculationOn">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:comment xml:lang="en">A property that tells whether the molecular system has calculations done.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has calculation on</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCollectionEntry -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCollectionEntry">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Collection Entry.</rdfs:comment>
+        <rdfs:label xml:lang="en">Collection Entry</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCoordinates -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCoordinates">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:comment xml:lang="en">A property that describes atom coordinates.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has coordinates</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCorrelationEnergy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCorrelationEnergy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes system correlation energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has correlation Energy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasCorrelationFunctional -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasCorrelationFunctional">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">A property that describes the correlation functional for the given methodology.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDftFlavor -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDftFlavor">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/DftFlavor"/>
+        <rdfs:comment xml:lang="en">A property that describes specific approximations to exchange-correlation functionals in the Density Functional Theory.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDftFunctional -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDftFunctional">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/DensityFunctional"/>
+        <rdfs:comment xml:lang="en">A property that describes DFT Functionals for the given methodology.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDipoleMoment -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDipoleMoment">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasDipoleResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:comment xml:lang="en">A property that describes molecular dipole moment.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has dipole moment</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDipoleMomentAverage -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDipoleMomentAverage">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasDipoleResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the average molecular dipole moment.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has dipole moment average</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDipoleMomentX -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDipoleMomentX">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasDipoleMoment"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that reports dipole moment X component</rdfs:comment>
+        <rdfs:label xml:lang="en">Dipole Moment X component</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDipoleMomentY -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDipoleMomentY">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasDipoleMoment"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property ... </rdfs:comment>
+        <rdfs:label xml:lang="en">Dipole Moment Y component</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDipoleMomentZ -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDipoleMomentZ">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasDipoleMoment"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property ... </rdfs:comment>
+        <rdfs:label xml:lang="en">Dipole Moment Z component</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDipoleResult -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDipoleResult">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <gc:isAbstract rdf:datatype="http://www.w3.org/2001/XMLSchema#boolean">true</gc:isAbstract>
+        <rdfs:comment xml:lang="en">A property that describes molecular dipole moment.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has dipole result</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasDispersionCorrection -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasDispersionCorrection">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/DispersionCorrection"/>
+        <rdfs:comment xml:lang="en">A property that describes the dispersion correction</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasElectronicEnergy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasElectronicEnergy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the electronic energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has electronic energy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasElectronicSpectraResult -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasElectronicSpectraResult">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:comment xml:lang="en">A property that describes the electronic spectra.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has electronic spectra result</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasElectronicTransitions -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasElectronicTransitions">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasElectronicSpectraResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:comment xml:lang="en">A property that describes electronic transition energies.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has electronic transitions</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasExchangeFunctional -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasExchangeFunctional">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">A property that describes the exchange functionals.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has exchange functional</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasExcitedStateMethod -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasExcitedStateMethod">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFeature -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasFeature">
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A property that describes a specific feature of given methodology.</rdfs:comment>
+        <rdfs:comment>has feature</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFile -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasFile">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasAuxiliaryProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFloatVector -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasFloatVector">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Float Vector.</rdfs:comment>
+        <rdfs:label xml:lang="en">Float Vector</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasForceField -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasForceField">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMechanics"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/ForceField"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFormalCharge -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasFormalCharge">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/IntegerValue"/>
+        <rdfs:comment xml:lang="en">A property that descibes the formal charge. The formal charge is the charge assigned to an atom in a molecule, assuming that electrons in a chemical bond are shared equally between atoms, regardless of relative electronegativity.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has formal charge</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFrequency -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasFrequency">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/FrequencyPeak"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the value of a frequency at the peak of the spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has frequency</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFrequencyPeak -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasFrequencyPeak">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/NMRSpectra"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/VibrationalSpectra"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FrequencyPeak"/>
+        <rdfs:comment xml:lang="en">A property that describes the value of a frequency peak of the vibrational spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has frequency peak</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasGroupProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasGroupProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Group Property.</rdfs:comment>
+        <rdfs:label xml:lang="en">Group Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasHeatOfFormation -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasHeatOfFormation">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the value of a the Heat of Formation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has heat of formation</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasIRSpectrum -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasIRSpectrum">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:comment xml:lang="en">A property that describes Molecular System</rdfs:comment>
+        <rdfs:label xml:lang="en">IR Spectrum</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasIntegerVector -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasIntegerVector">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Integer Vector.</rdfs:comment>
+        <rdfs:label xml:lang="en">Integer Vector</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasIntensity -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasIntensity">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/FrequencyPeak"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the value of the intensity of a peak of a spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has Intensity</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasKeyword -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasKeyword">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property describes keywords for running QC jobs</rdfs:comment>
+        <rdfs:label xml:lang="en">Keyword</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMass -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMass">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Molecule"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/hasFloatValue"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMathML -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMathML">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:comment xml:lang="en">A property that specifies MathML object.</rdfs:comment>
+        <rdfs:label xml:lang="en">Math ML</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMathMLEquation -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMathMLEquation">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:comment xml:lang="en">A property that specifies MathML Equation.</rdfs:comment>
+        <rdfs:label xml:lang="en">Math ML Equation</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMethodology -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMethodology">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/Methodology"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularCollection -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMolecularCollection">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Molecular Collection.</rdfs:comment>
+        <rdfs:label xml:lang="en">Molecular Collection</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularComputation -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMolecularComputation">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A property that describes Molecular Computation</rdfs:comment>
+        <rdfs:label xml:lang="en">Molecular Computation</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularMechanics -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMolecularMechanics">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasCalculationOn"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMolecularProperty">
+        <rdfs:domain rdf:resource="http://www.w3.org/2000/01/rdf-schema#Class"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Class"/>
+        <rdfs:comment>The upper property for various properties related to molecular systems</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Molecular Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularSystem -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMolecularSystem">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularCalculation"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+        <rdfs:label xml:lang="en">Molecular System</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecule -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMolecule">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies a molecule.</rdfs:comment>
+        <rdfs:label xml:lang="en">Molecule</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMoleculeProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMoleculeProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Molecule Property.</rdfs:comment>
+        <rdfs:label xml:lang="en">Molecule Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMullikenCharges -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMullikenCharges">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedAtomProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes computed Mulliken Charges.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has Mulliken charges</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMultipleDeterminant -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMultipleDeterminant">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Bond"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMultipleReferenceState -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasMultipleReferenceState">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:comment xml:lang="en">A property that describes Multiple Reference State</rdfs:comment>
+        <rdfs:label xml:lang="en">Multiple Reference State</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNmrShieldingAnisotropy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasNmrShieldingAnisotropy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasShielding"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes computed NMR Shielding Anisotropic component.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has nmr shielding anisotropy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNmrShieldingIsotropic -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasNmrShieldingIsotropic">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasShielding"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes computed NMR Shielding Isotropic component</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has nmr shielding isotropic</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNormalMode -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasNormalMode">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/FrequencyPeak"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the normal mode of a vibration</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has normal mode</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNuclearRepulsionEnergy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasNuclearRepulsionEnergy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the potential energy arising from Coulombic nuclei-nuclei repulsions</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has nuclear repulsion energy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNumberBasisFunc -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasNumberBasisFunc">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/NumberBasisFunc"/>
+        <rdfs:comment xml:lang="en">A property that describes the number of basis functions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOccupancy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOccupancy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Orbital"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the occupancy of the orbital</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has occupancy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOccupiedOrbitalsIncluded -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOccupiedOrbitalsIncluded">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOpenShellTreatment -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOpenShellTreatment">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrbital -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOrbital">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/WaveFunction"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/Orbital"/>
+        <rdfs:comment xml:lang="en">A property that describes the orbital.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has orbital</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrbitalCount -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOrbitalCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrbitalEnergy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOrbitalEnergy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Orbital"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes the orbital energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has orbital energy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrbitalSymmetry -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOrbitalSymmetry">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Orbital"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOscillatorStrength -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOscillatorStrength">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasElectronicSpectraResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:comment xml:lang="en">A property that defines oscillator strengths of electronic spectra.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has oscillator strength</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOutputFile -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasOutputFile">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Output file.</rdfs:comment>
+        <rdfs:label xml:lang="en">Output File</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasParameter -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasParameter">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies a parameter.</rdfs:comment>
+        <rdfs:label xml:lang="en">Parameter</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasParameterSet -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasParameterSet">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMechanics"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/ParameterSet"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasPropertyValue -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasPropertyValue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property Value</rdfs:comment>
+        <rdfs:label xml:lang="en">Property Value</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasPublisher -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasPublisher">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://purl.org/dc/elements/1.1/publisher"/>
+        <rdfs:comment xml:lang="en">A property that relates publication to publisher</rdfs:comment>
+        <rdfs:label xml:lang="en">Publisher of the publication</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasQuantity -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasQuantity">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that defines quantity</rdfs:comment>
+        <rdfs:label xml:lang="en">Quantity</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasQuantumMechanics -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasQuantumMechanics">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasCalculationOn"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasRMSGradient -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasRMSGradient">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes RMS gradient of the computations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has RMS Gradient</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasResidue -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasResidue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000124"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Molecule"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:comment xml:lang="en">A property that describes the residue in a molecule.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has residue</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasResidueProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasResidueProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the Residue Property.</rdfs:comment>
+        <rdfs:label xml:lang="en">Residue Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasResult -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasResult">
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/CalculationResult"/>
+        <rdfs:comment xml:lang="en">A property that describes generic results of the computations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has result</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasScope -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasScope">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+        <rdfs:label xml:lang="en">Scope of something (??)</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasShielding -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasShielding">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes an NMR shielding of an atom.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has shielding</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSingleDeterminantType -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSingleDeterminantType">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/QuantumMechanics"/>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+        <rdfs:label xml:lang="en">Single Determinant Type</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSingleReferenceState -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSingleReferenceState">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/QuantumMechanics"/>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+        <rdfs:label xml:lang="en">Single Reference State</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSingleReferenceStateType -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSingleReferenceStateType">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/QuantumMechanics"/>
+        <rdfs:comment xml:lang="en">A property that describes Reference State Type</rdfs:comment>
+        <rdfs:label xml:lang="en">Single Reference State Type</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSource -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSource">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSourcePackage -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSourcePackage">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasAuxiliaryProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/SourcePackage"/>
+        <rdfs:comment xml:lang="en">A property that defines relations that allows to describe Source Package for Publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has source package</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSpinType -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSpinType">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasFeature"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/SpinType"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSystemCharge -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSystemCharge">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes molecular system charge.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has system charge</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSystemEnergiesResult -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSystemEnergiesResult">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <gc:isAbstract rdf:datatype="http://www.w3.org/2001/XMLSchema#boolean">true</gc:isAbstract>
+        <rdfs:comment xml:lang="en">A property that describes system energies.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has system energies result</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSystemMultiplicity -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSystemMultiplicity">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSystemProperty -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSystemProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/CalculatedProperty"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+        <rdfs:label xml:lang="en">System Property</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSystemTemperature -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasSystemTemperature">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/MolecularSystem"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes system temperature.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has system temperature</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasTotalPotentialEnergy -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasTotalPotentialEnergy">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasSystemEnergiesResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:comment xml:lang="en">A property that describes Total Potential Energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has total potential energy</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasTransitionCount -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasTransitionCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasUnit -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasUnit">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasAuxiliaryProperty"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:comment xml:lang="en">A property that describes a unit of the value.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has unit</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasUnoccupiedOrbitalsIncluded -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasUnoccupiedOrbitalsIncluded">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasVibrationCount -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasVibrationCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularFeature"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasWaveFunctionCoefficients -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasWaveFunctionCoefficients">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasResult"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Orbital"/>
+        <rdfs:range rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:comment xml:lang="en">A property that describes Wave Function Coefficients.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has wave function coefficients</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasXYPoint -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/hasXYPoint">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the XY Point.</rdfs:comment>
+        <rdfs:label xml:lang="en">XY Point</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/holds -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/holds">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasAuxiliaryProperty"/>
+        <rdfs:comment xml:lang="en">A property that defines objects held by a container.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">holds</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/isCalculationOn -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/isCalculationOn">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the object of the calculation.</rdfs:comment>
+        <rdfs:label xml:lang="en">Calculation On</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/isElement -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/isElement">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://www.daml.org/2003/01/periodictable/PeriodicTable#Element"/>
+        <rdfs:comment xml:lang="en">A property that describes what element the given atom is.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">is element</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/relatedEntity -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/relatedEntity">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasAuxiliaryProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:comment xml:lang="en">A property that describes related entity.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">related entity</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/usesMolecularCalculation -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/usesMolecularCalculation">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the use of Molecular Calculation.</rdfs:comment>
+        <rdfs:label xml:lang="en">The use of Molecular Calculation</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/usesMolecularSystem -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/usesMolecularSystem">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that specifies the use of Molecular System.</rdfs:comment>
+        <rdfs:label xml:lang="en">The use of Molecular System</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/xAxis -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/xAxis">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/InfraRedSpectrum"/>
+        <rdfs:comment xml:lang="en">A property that describes what is on xAxis</rdfs:comment>
+        <rdfs:label xml:lang="en">x Axis</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/xAxisUnit -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/xAxisUnit">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:comment xml:lang="en">A property that describes Units of X Axis</rdfs:comment>
+        <rdfs:label xml:lang="en">X Axis Unit</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/yAxis -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/yAxis">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/InfraRedSpectrum"/>
+        <rdfs:comment xml:lang="en">A property that describes what is on Axis</rdfs:comment>
+        <rdfs:label xml:lang="en">Y Axis</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purl.org/gc/yAxisUnit -->
+
+    <owl:ObjectProperty rdf:about="http://purl.org/gc/yAxisUnit">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCObjectProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/InfraRedSpectrum"/>
+        <rdfs:comment xml:lang="en">A property that describes Units of X Axis</rdfs:comment>
+        <rdfs:label xml:lang="en">Y Axis Unit</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Data properties
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purl.org/gc/extraGCDataProperty -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/extraGCDataProperty"/>
+    
+
+
+    <!-- http://purl.org/gc/hasAtomCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasAtomCount">
+        <owl:equivalentProperty rdf:resource="http://purl.org/gc/hasNumberOfAtoms"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://purl.org/gc/MolecularSystem"/>
+                    <rdf:Description rdf:about="http://purl.org/gc/Molecule"/>
+                    <rdf:Description rdf:about="http://purl.org/gc/Residue"/>
+                </owl:unionOf>
+            </owl:Class>
+        </rdfs:domain>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#nonNegativeInteger"/>
+        <rdfs:comment xml:lang="en">A property that allows to declare total count of atoms in a given structure - Molecular System or Molecule or Residue.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has number of atoms</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasAtomProperty -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasAtomProperty">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBasisSet -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasBasisSet">
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBondCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasBondCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://purl.org/gc/Atom"/>
+                    <rdf:Description rdf:about="http://purl.org/gc/Molecule"/>
+                    <rdf:Description rdf:about="http://purl.org/gc/Residue"/>
+                </owl:unionOf>
+            </owl:Class>
+        </rdfs:domain>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#nonNegativeInteger"/>
+        <rdfs:comment xml:lang="en">A property that determinates the count of bonds into Molecule, Residue or Atom.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has bond count</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBondOrder -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasBondOrder">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#positiveInteger"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasBondType -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasBondType"/>
+    
+
+
+    <!-- http://purl.org/gc/hasCategory -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasCategory">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that determines a category of the publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has category</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasChainNumber -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasChainNumber">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
+        <rdfs:comment xml:lang="en">A property that defines chain number in the molecule.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has chain number</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasElementSymbol -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasElementSymbol">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Atom"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that defines the Symbol of the element of an atom.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has element symbol</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasEmail -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasEmail">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the email address of corresponding author.</rdfs:comment>
+        <rdfs:label>has email</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasExcitedStateMethod -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasExcitedStateMethod">
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFile -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasFile">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFirstName -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasFirstName">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the first name of corresponding author.</rdfs:comment>
+        <rdfs:label>has first name</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasFloatValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasFloatValue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasValue"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/FloatValue"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasForceField -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasForceField">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasInChIKey -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasInChIKey">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Molecule"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the InChI Key - the condensed, 27 character hashed version of the InChI String.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has InChI key</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasInChIString -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasInChIString">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Molecule"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the InChI String - International Chemical Identifier - a textual identifier for chemical substances.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has InChI string</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasIndex -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasIndex">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#nonNegativeInteger"/>
+        <rdfs:comment xml:lang="en">A property that defines a sequential arrangement of material in numerical order, i.e. Frequency Peak, Orbital or a sequence number in residue.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has index</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasInput -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasInput">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SourcePackage"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that defines the contents of the input file of the calculation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has input</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasInputFile -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasInputFile">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that specifies input file for calculations.</rdfs:comment>
+        <rdfs:label xml:lang="en">Input File</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasInsertion -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasInsertion">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:comment xml:lang="en">A property that defines the insertion code for residue numbering.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has insertion code</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasIntegerValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasIntegerValue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasValue"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/IntegerValue"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
+        <rdfs:comment xml:lang="en">A property that describes Integer Value.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has integer value</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasKey -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasKey">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that defines the security key of the publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has key</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasLastName -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasLastName">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the last name of corresponding author.</rdfs:comment>
+        <rdfs:label>has last name</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMass -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMass">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMethod -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMethod">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMethodFeature"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:comment xml:lang="en">A property that defines the calculation method for given technology.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has method</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMethodFeature -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMethodFeature">
+        <rdfs:comment>The upper property for various properties related to computational methods</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Datatype Property for Molecular Features related to methods of computations</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMethodology -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMethodology">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMethodFeature"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularData -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMolecularData">
+        <rdfs:comment>The upper property for various properties related to Molecular Data</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Datatype Property for Molecular Data</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularFeature -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMolecularFeature"/>
+    
+
+
+    <!-- http://purl.org/gc/hasMolecularMechanics -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMolecularMechanics">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasMultipleDeterminant -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasMultipleDeterminant">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#positiveInteger"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasName -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasName">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that defines the name of molecular system elements, i.e. atom or residue.</rdfs:comment>
+        <rdfs:comment>The name of an entity.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has name</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNaturalValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasNaturalValue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasValue"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/NaturalValue"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#nonNegativeInteger"/>
+        <rdfs:comment xml:lang="en">A property that defines natural value.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has natural value</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNumber -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasNumber">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:comment xml:lang="en">A property of having a number</rdfs:comment>
+        <rdfs:label xml:lang="en">Number</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasNumberOfAtoms -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasNumberOfAtoms">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdfs:comment xml:lang="en">A property that determines the number of atoms in a given collection</rdfs:comment>
+        <rdfs:label xml:lang="en">A property that determines the number of atoms in a given collection</rdfs:label>
+        <rdfs:label xml:lang="en">Number of Atoms</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOccupiedOrbitalsIncluded -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasOccupiedOrbitalsIncluded">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOpenShellTreatment -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasOpenShellTreatment">
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrbitalCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasOrbitalCount">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrbitalSymmetry -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasOrbitalSymmetry">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOrganization -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasOrganization">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the organization of corresponding author.</rdfs:comment>
+        <rdfs:label>has organization</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasOutput -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasOutput">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SourcePackage"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">The property that defines the contents of the output file of the calculation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has output</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasParameterSet -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasParameterSet">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasPeakCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasPeakCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ElectronicSpectra"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/NMRSpectra"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/VibrationalSpectra"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#nonNegativeInteger"/>
+        <rdfs:comment xml:lang="en">A property that determinates the count of peaks in a spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Peak Count</rdfs:label>
+        <rdfs:label xml:lang="en">has Peak Count</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasPropertyCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasPropertyCount">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SystemProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#unsignedInt"/>
+        <rdfs:comment xml:lang="en">A property that reports property count</rdfs:comment>
+        <rdfs:label xml:lang="en">Property Count</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasPublicationData -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasPublicationData">
+        <rdfs:comment>The upper property for various properties related to the publication data</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Datatype Property for Publication data</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasQuantumMechanics -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasQuantumMechanics">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSecondaryStructure -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasSecondaryStructure">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMolecularData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:comment xml:lang="en">A property that defines the three-dimensional form of local segments of biopolymers.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has secondary structure</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSource -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasSource">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSpinType -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasSpinType">
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasStatus -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasStatus">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the status of the publication.</rdfs:comment>
+        <rdfs:label>has status</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasSystemMultiplicity -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasSystemMultiplicity">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#positiveInteger"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasTag -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasTag">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:comment xml:lang="en">A property that reports tags assigned to publication</rdfs:comment>
+        <rdfs:label xml:lang="en">Tag for the calculation</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasTechnology -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasTechnology">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasMethodFeature"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:comment xml:lang="en">A property that describes the calculation&apos;s technology for molecular system.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has technology</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasTextValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasTextValue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/extraGCDataProperty"/>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+        <rdfs:label xml:lang="en">Text Value</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasTransitionCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasTransitionCount">
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasUnoccupiedOrbitalsIncluded -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasUnoccupiedOrbitalsIncluded">
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasValue">
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:comment xml:lang="en">A Superproperty of typed numerical values.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has value</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasVectorValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasVectorValue">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasValue"/>
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/VectorValue"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:comment xml:lang="en">A property that describes the vector values.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has vector value</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasVersion -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasVersion">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/SourcePackage"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that describes the version of the software package used.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has version</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasVibrationCount -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasVibrationCount">
+        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purl.org/gc/hasVisibility -->
+
+    <owl:DatatypeProperty rdf:about="http://purl.org/gc/hasVisibility">
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/gc/hasPublicationData"/>
+        <rdfs:domain rdf:resource="http://purl.org/gc/ComputationalChemistryPublication"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:comment xml:lang="en">A property that defines the allowed visibility of the publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has visibility</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Classes
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#ChemistryUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#ChemistryUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#DerivedUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#DerivedUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#ElectricDipoleMomentUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#ElectricDipoleMomentUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#EnergyAndWorkUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#EnergyAndWorkUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#FrequencyUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#FrequencyUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#LengthUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#LengthUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/qudt#TemperatureUnit -->
+
+    <owl:Class rdf:about="http://data.nasa.gov/qudt/owl/qudt#TemperatureUnit">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.obolibrary.org/obo/BFO_0000027 -->
+
+    <owl:Class rdf:about="http://purl.obolibrary.org/obo/BFO_0000027"/>
+    
+
+
+    <!-- http://purl.obolibrary.org/obo/BFO_0000030 -->
+
+    <owl:Class rdf:about="http://purl.obolibrary.org/obo/BFO_0000030"/>
+    
+
+
+    <!-- http://purl.org/dc/elements/1.1/publisher -->
+
+    <owl:Class rdf:about="http://purl.org/dc/elements/1.1/publisher"/>
+    
+
+
+    <!-- http://purl.org/gc/AbInitioScf -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AbInitioScf">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for Self Consistent Field methods (Hartree-Fock methods) for approximate solution of Schrödinger equation for quantum many body system.</rdfs:comment>
+        <rdfs:label xml:lang="en">Ab initio SCF</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AbinitioScf -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AbinitioScf">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AbinitioScf.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AbinitioScf</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AhlrichsBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AhlrichsBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/BasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Correlation Consistent basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Ahlrichs Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AlphaOrbital -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AlphaOrbital">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AlphaOrbital.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AlphaOrbital</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Aromatic -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Aromatic">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/NormalBond"/>
+        <rdfs:comment xml:lang="en">A class for bonds with aromatic character</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Aromatic Bond</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Atom -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Atom">
+        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000030"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularStructureObject"/>
+        <owl:disjointWith rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:comment xml:lang="en">A class for Atom.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for atoms, the basic unit of matter.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Atom</rdfs:label>
+        <rdfs:label xml:lang="en">Atoms</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AtomCoordinateX -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AtomCoordinateX">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AtomCoordinateX.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AtomCoordinateX</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AtomCoordinateY -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AtomCoordinateY">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AtomCoordinateY.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AtomCoordinateY</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AtomCoordinateZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AtomCoordinateZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AtomCoordinateZ.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AtomCoordinateZ</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AtomCoordinates -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AtomCoordinates">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AtomCoordinates.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AtomCoordinates</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AtomProperty -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AtomProperty">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AtomProperty.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AtomProperty</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AtomicMass -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AtomicMass">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for AtomicMass.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">AtomicMass</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Author -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Author">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PublicationConcept"/>
+        <rdfs:comment xml:lang="en">A class for all authors of this publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Author</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/AuxiliaryConcept -->
+
+    <owl:Class rdf:about="http://purl.org/gc/AuxiliaryConcept">
+        <rdfs:comment xml:lang="en">A generic class representing Auxiliary concepts.</rdfs:comment>
+        <rdfs:label xml:lang="en">Auxiliary Concept</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/B3LYP -->
+
+    <owl:Class rdf:about="http://purl.org/gc/B3LYP">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Hybrids"/>
+        <rdfs:comment xml:lang="en">Becke-Lee-Yang-Parr hybrid functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">B3LYP</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/B97 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/B97">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Hybrids"/>
+        <rdfs:comment xml:lang="en">The Becke 1997 hybrid functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">B97</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/BLYP -->
+
+    <owl:Class rdf:about="http://purl.org/gc/BLYP">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Becke-Lee-Yang-Parr functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">BLYP</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/BOMolecularDynamics -->
+
+    <owl:Class rdf:about="http://purl.org/gc/BOMolecularDynamics">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularDynamics"/>
+        <rdfs:comment xml:lang="en">A class for the Born-Oppenheimer molecular dynamics computations on molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Born-Oppenheimer Molecular Dynamics Computation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/BP86 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/BP86">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Becke-Perdew86 functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">BP86</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/BasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/BasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for the basis set. In computational chemistry basis set is a set of functions which are combined to create molecular orbitals.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Becke88 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Becke88">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">Becke 1988 exchange functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Becke88</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/BetaOrbital -->
+
+    <owl:Class rdf:about="http://purl.org/gc/BetaOrbital">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for BetaOrbital.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">BetaOrbital</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Bond -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Bond">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularStructureObject"/>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/BondTypes -->
+
+    <owl:Class rdf:about="http://purl.org/gc/BondTypes"/>
+    
+
+
+    <!-- http://purl.org/gc/CASPT2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CASPT2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MCSCF"/>
+        <rdfs:comment xml:lang="en">A class for the complete active space perturbation theory methods.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CASPT2</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CASSCF -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CASSCF">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MCSCF"/>
+        <rdfs:comment xml:lang="en">A class for the Complete Active Space Multiconfiguration SCF (CASSCF) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CASSCF</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CC -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CC">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CC-2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CC-2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCSecondOrder"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a treatment singles, doubles.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC(2)</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CC-3 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CC-3">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderSelfConsistent"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a treatment singles, doubles, and triples.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC(3)</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CC2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CC2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCSecondOrder"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a treatment singles, doubles.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC2</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CC3 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CC3">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderSelfConsistent"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a treatment singles, doubles, and triples.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC3</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCD -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCD">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCSecondOrder"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with double substitutions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCD</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCDoubleZeta -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCDoubleZeta">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationConsistentBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the CCDZ Correlation Consistent Double Zeta basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC-DoubleZeta Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCQuadrupleZeta -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCQuadrupleZeta">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationConsistentBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the CCQZ Correlation Consistent Quadrupole Zeta basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC-QuadrupleZeta Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCQuintupleZeta -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCQuintupleZeta">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationConsistentBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the CC5Z Correlation Consistent Quintuple Zeta basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC-QuintupleZeta Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSD -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSD">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCSecondOrder"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a full treatment singles and doubles.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSD</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSD&#45;&#45;T -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSD--T">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderPerturbative"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a full treatment singles, doubles and approximate treatment of triple excitations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSD[T]</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSD-T -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSD-T">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderPerturbative"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a full treatment singles and doubles and approximate treatment of triple excitations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSD(T)</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSDT -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSDT">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderSelfConsistent"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a full treatment singles, doubles, and triples.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSDT</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSDT-1A -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSDT-1A">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderSelfConsistent"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a full treatment singles, doubles and approximate treatment of triple excitations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSDT-1A</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSDT-1B -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSDT-1B">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrderSelfConsistent"/>
+        <rdfs:comment xml:lang="en">A class for the coupled cluster method with a full treatment singles, doubles and approximate treatment of triple excitations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSDT-1B</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCSecondOrder -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCSecondOrder">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CC"/>
+        <rdfs:comment xml:lang="en">A class for the second-order coupled cluster method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCSecondOrder</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCThirdOrder -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCThirdOrder">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CC"/>
+        <rdfs:comment xml:lang="en">A class for the third-order coupled cluster method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCThirdOrder</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCThirdOrderPerturbative -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCThirdOrderPerturbative">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrder"/>
+        <rdfs:comment xml:lang="en">A class for the third-order perturbative coupled cluster method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCThirdOrderPerturbative</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCThirdOrderSelfConsistent -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCThirdOrderSelfConsistent">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCThirdOrder"/>
+        <rdfs:comment xml:lang="en">A class for the third-order self-consistent coupled cluster method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CCThirdOrderSelfConsistent</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CCTripleZeta -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CCTripleZeta">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationConsistentBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the CCTZ Correlation Consistent Triple Zeta basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CC-TripleZeta Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CI -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CI">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for the configuration interaction (CI) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CI</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CIS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CIS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CI"/>
+        <rdfs:comment xml:lang="en">A class for the configuration interaction (CI) method with single substitutions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CIS</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CISD -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CISD">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CI"/>
+        <rdfs:comment xml:lang="en">A class for the configuration interaction (CI) method with single and double substitutions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CISD</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CPMolecularDynamics -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CPMolecularDynamics">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularDynamics"/>
+        <rdfs:comment xml:lang="en">A class for the Car-Parinello type of molecular dynamics computations on molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Car-Pariinello Molecular Dynamics Computation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CSXVersion -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CSXVersion">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">CSXVersion class.</rdfs:comment>
+        <rdfs:label xml:lang="en">CSXVersion</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedAtomAtomProperties -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedAtomAtomProperties">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:comment xml:lang="en">A class for the properties of the intersection of two atoms calculated in the course of computational chemistry procedure, such as spin-spin coupling</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculated Atom-Atom Properties</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedAtomCharge -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedAtomCharge">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for CalculatedAtomCharge.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CalculatedAtomCharge</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedAtomProperties -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedAtomProperties">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:comment xml:lang="en">A class for the properties of an atom calculated in the course of computational chemistry procedure.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculated Atomic Properties</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedMoleculeProperties -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedMoleculeProperties">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:comment xml:lang="en">A class for the properties of a molecule calculated in the course of computational chemistry procedure.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculated Properties of a molecule</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedProperties -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedProperties">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationResult"/>
+        <rdfs:comment xml:lang="en">A class for the properties of calculated in the course of computational chemistry procedure.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculated Properties</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedProperty -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedProperty">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for CalculatedProperty.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">CalculatedProperty</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculatedSystemProperties -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculatedSystemProperties">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedProperties"/>
+        <rdfs:comment xml:lang="en">A class for the properties of molecular system calculated in the course of computational chemistry procedure.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculated System Properties</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculationConcept -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculationConcept">
+        <rdfs:comment xml:lang="en">A class for generic concepts that describe calculations in computational chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculation Concept</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CalculationResult -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CalculationResult">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationConcept"/>
+        <rdfs:comment xml:lang="en">A class for specific concepts related to the results of computational chemistry procedures.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Calculation Result</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ChemicalShift -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ChemicalShift">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedAtomProperties"/>
+        <rdfs:comment xml:lang="en"></rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for NMR chemical shifts.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Chemical Shift</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ComputationalChemistryPublication -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ComputationalChemistryPublication">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Publication"/>
+        <rdfs:comment xml:lang="en">A class for ComputationalChemistryPublication.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for publication of the results of the computional chemistry programs.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Computational Chemistry Publication</rdfs:label>
+        <rdfs:label xml:lang="en">ComputationalChemistryPublication</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CoreEnergy -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CoreEnergy">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:comment xml:lang="en">A class for the classical energy of the core (possibly nucleus-nucleus repulsion) energy in the Born-Oppenheimer approx. of Schroedinger equation. The Core Energy plus the Electronic Energy constitute the TotalBOPotentialEnergy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Core Energy</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CorrelationConsistentBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CorrelationConsistentBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/BasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Correlation Consistent basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Correlation-consistent(cc) Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CorrelationFunctional -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CorrelationFunctional">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DensityFunctional"/>
+        <rdfs:comment xml:lang="en">A class for correlation functionals in Density Functional Theories.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Correlation Functional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/CorrespondingAuthor -->
+
+    <owl:Class rdf:about="http://purl.org/gc/CorrespondingAuthor">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:comment xml:lang="en">A class for principal author of this publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Corresponding Author</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DunningBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Dunning DZ double zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">DZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DativeBond -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DativeBond">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:comment xml:lang="en">A class for dative covalent bond.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">DativeBond</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DensityFunctional -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DensityFunctional">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for all density functionals in Density Functional Theories.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Density Functional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Dft -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Dft">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for methods from the family of Density Functional Theories.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dft</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DftFlavor -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DftFlavor">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for specific approximations to exchange-correlation functionals in the Density Functional Theory.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dft Flavor</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DftFunctional -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DftFunctional">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for DFT Functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">DFT Functional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DiffusePopleBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DiffusePopleBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople basis sets with diffuse functions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Diffuse Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DipoleMoment -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DipoleMoment">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:comment xml:lang="en"></rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for molecular dipole moment.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dipole Moment</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DipoleMomentAverage -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DipoleMomentAverage">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Dipole Moment Average.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dipole Moment Average</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DipoleMomentX -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DipoleMomentX">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Dipole Moment X coordinate.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dipole Moment X coordinate</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DipoleMomentY -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DipoleMomentY">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Dipole Moment Y coordinate.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dipole Moment Y coordinate</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DipoleMomentZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DipoleMomentZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Dipole Moment Z coordinate.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dipole Moment Z coordinate</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DispersionCorrection -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DispersionCorrection">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for the dispersion correction in the Density Functional Theory.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dispersion Correction</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Double -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Double">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/NormalBond"/>
+        <rdfs:comment xml:lang="en">A class for Double.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for double covalent bonds.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Double</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/DunningBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/DunningBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/BasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the older Dunning basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Dunning Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Electronic -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Electronic">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Electronic.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Electronic</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ElectronicEnergy -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ElectronicEnergy">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:comment xml:lang="en">A class for the total energy of electrons in the Born-Oppenheimer approx of Schroedinger equation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Electronic Energy</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ElectronicSpectra -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ElectronicSpectra">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Spectra"/>
+        <rdfs:comment xml:lang="en">A class for ElectronicSpectra.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for spectra resulting from the molecular electronic transitions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Electronic Spectra</rdfs:label>
+        <rdfs:label xml:lang="en">ElectronicSpectra</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ElectronicTransitions -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ElectronicTransitions">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for ElectronicTransitions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">ElectronicTransitions</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ExchangeFunctional -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ExchangeFunctional">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DensityFunctional"/>
+        <rdfs:comment xml:lang="en">A class for exchange functionals in Density Functional Theories.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Exchange Functional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ExcitedStates -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ExcitedStates">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A class for the computations of the excited states of molecules.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Excited States Computation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ExperimentalChemistryPublication -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ExperimentalChemistryPublication">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Publication"/>
+        <rdfs:comment xml:lang="en">A class for publication of the results of an experimental measurement.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Experimental Chemistry Publication</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/FCI -->
+
+    <owl:Class rdf:about="http://purl.org/gc/FCI">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CI"/>
+        <rdfs:comment xml:lang="en">A class for the full configuration interaction (CI) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">FCI</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/FloatValue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/FloatValue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:comment xml:lang="en">A class for float value, containing value and unit.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Float Value</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ForceField -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ForceField">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for the classical mechanical methods based on the concept of the Force Field.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Force Field</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/FormalAtomCharge -->
+
+    <owl:Class rdf:about="http://purl.org/gc/FormalAtomCharge">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for FormalAtomCharge.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">FormalAtomCharge</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Frequency -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Frequency">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Frequency.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Frequency</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/FrequencyPeak -->
+
+    <owl:Class rdf:about="http://purl.org/gc/FrequencyPeak">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SpectralFeatures"/>
+        <rdfs:comment xml:lang="en">A class for FrequencyPeak.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class representing frequency peak of the spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Frequency Peak</rdfs:label>
+        <rdfs:label xml:lang="en">FrequencyPeak</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/G1 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/G1">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Gaussian-n"/>
+        <rdfs:comment xml:lang="en">A version of Gaussian-n composite calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">G1</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/G2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/G2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Gaussian-n"/>
+        <rdfs:comment xml:lang="en">A version of Gaussian-n composite calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">G2</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/G3 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/G3">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Gaussian-n"/>
+        <rdfs:comment xml:lang="en">A version of Gaussian-n composite calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">G3</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/G4 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/G4">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Gaussian-n"/>
+        <rdfs:comment xml:lang="en">A version of Gaussian-n composite calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">G4</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GVB -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GVB">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleReferenceState"/>
+        <rdfs:comment xml:lang="en">A class for the Complete Generalized Valence Bond Method (CASSCF) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">GVB</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GainesvilleCoreTerm -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GainesvilleCoreTerm"/>
+    
+
+
+    <!-- http://purl.org/gc/Gaussian-n -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Gaussian-n">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleDeterminant"/>
+        <rdfs:comment xml:lang="en">A collection of composite calculations (mainly quadratic CI plus others) that try to approximate full CI.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Gaussian-n</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GeneralizedDFTFunctional -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GeneralizedDFTFunctional">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DensityFunctional"/>
+        <rdfs:comment xml:lang="en">A class for the generalized (e.g. Hybrid) density functionals in the Density Functional Theory.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">GeneralizedDFTFunctional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GeneralizedGradientApprox-GGA -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GeneralizedGradientApprox-GGA">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedDFTFunctional"/>
+        <rdfs:comment xml:lang="en">A class for GGA approximations of density functionals.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">GeneralizedGradientApprox-GGA</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GeometryOptimization -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GeometryOptimization">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A class for calculations in computational chemistry that aim to find molecular geometry of lowest energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Geometry optimization</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Gill96 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Gill96">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">Gill 1996 exchange functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Gill96</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GrB97 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GrB97">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Grimme&apos;s parameterization of Becke 1997 functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">B97</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Gradient -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Gradient">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedSystemProperties"/>
+        <rdfs:comment xml:lang="en"></rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for energy gradient of molecular system.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Gradient</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Group -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Group">
+        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000027"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularStructureObject"/>
+        <rdfs:comment xml:lang="en">A class for Group.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for generic collection of atoms in molecules and residues</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Group</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/GroupProperty -->
+
+    <owl:Class rdf:about="http://purl.org/gc/GroupProperty">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for GroupProperty.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">GroupProperty</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/HCTH120 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/HCTH120">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Hamprecht-Cohen-Tozer-Handy GGA functional for 120 cases.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">HCTH120</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/HCTH147 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/HCTH147">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Hamprecht-Cohen-Tozer-Handy GGA functional for 147 cases.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">HCTH147</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/HCTH407 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/HCTH407">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Hamprecht-Cohen-Tozer-Handy GGA functional for 407 cases.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">HCTH407</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/HCTH93 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/HCTH93">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Hamprecht-Cohen-Tozer-Handy 1993 GGA functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">HCTH93</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Hybrids -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Hybrids">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedDFTFunctional"/>
+        <rdfs:comment xml:lang="en">A class for Hybrid approximations of density functionals.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Hybrids</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/HydrogenBond -->
+
+    <owl:Class rdf:about="http://purl.org/gc/HydrogenBond">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:comment xml:lang="en">A class for hydrogen bond - the electrostatic interaction between polar molecules (strong dipole-dipole attraction).</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Hydrogen Bond</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/IRDataPoint -->
+
+    <owl:Class rdf:about="http://purl.org/gc/IRDataPoint">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for IRDataPoint.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">IRDataPoint</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/InfraRedSpectra -->
+
+    <owl:Class rdf:about="http://purl.org/gc/InfraRedSpectra">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/VibrationalSpectra"/>
+        <rdfs:comment xml:lang="en">A class for vibrational spectra resulting from IR intensities.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">InfraRed Spectra</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/InfraRedSpectrum -->
+
+    <owl:Class rdf:about="http://purl.org/gc/InfraRedSpectrum">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for InfraRed Spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Infra Red Spectrum</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/InfraredSpectrum -->
+
+    <owl:Class rdf:about="http://purl.org/gc/InfraredSpectrum">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for InfraredSpectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">InfraredSpectrum</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/IntegerValue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/IntegerValue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:comment xml:lang="en">A class that represents integer value, containing value and unit.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Integer Value</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Intensity -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Intensity">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Intensity.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Intensity</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/InterMolecularPT -->
+
+    <owl:Class rdf:about="http://purl.org/gc/InterMolecularPT">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MBPerturbationTheory"/>
+        <rdfs:comment xml:lang="en">A class for perturbation theory method applied to the intermolecular interactions of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">InterMolecularPT</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/LYP -->
+
+    <owl:Class rdf:about="http://purl.org/gc/LYP">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Lee-Yang-Parr correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">LYP</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/LocalDensityApprox-LDA -->
+
+    <owl:Class rdf:about="http://purl.org/gc/LocalDensityApprox-LDA">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedDFTFunctional"/>
+        <rdfs:comment xml:lang="en">A class for LDA approximations of density functionals.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">LocalDensityApprox-LDA</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M05 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M05">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Functional 2005.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M05</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M05-2X -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M05-2X">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 5.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M05-2X</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M06 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M06">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Functional 2006.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M06</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M06-HF -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M06-HF">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 2006.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M06-HF</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M06-L -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M06-L">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 6.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M06-L</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M06-X -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M06-X">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 6.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M06-X</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M08-HX -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M08-HX">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 2008.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M08-HX</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M08-SO -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M08-SO">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 2008.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M08-SO</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M11 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M11">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 2011.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M11</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M11-L -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M11-L">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 11.</rdfs:comment>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 2011.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M11-L</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/M11-SO -->
+
+    <owl:Class rdf:about="http://purl.org/gc/M11-SO">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota (Truhlar) Version of Functional 2011.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">M11-SO</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MBPerturbationTheory -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MBPerturbationTheory">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for the perturbation of single determinant wave functions such as MP2, etc.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MBPerturbationTheory</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MCSCF -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MCSCF">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleReferenceState"/>
+        <rdfs:comment xml:lang="en">A class for the multi-configurational self-consistent field (MCSCF) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MCSCF</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MN12-L -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MN12-L">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota Nonseparable (Truhlar) Version of Functional 12.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MN12-L</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MN12-SX -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MN12-SX">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Minnesota Nonseparable (Truhlar) Version of Functional 12.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MN12-SX</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MRCC -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MRCC">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleReferenceState"/>
+        <rdfs:comment xml:lang="en">A class for a Multi-reference coupled cluster calculation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MRCC</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MRCI -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MRCI">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleReferenceState"/>
+        <rdfs:comment xml:lang="en">A class for a Multi-reference configuration interaction calculation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MRCI</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Meta-GGA -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Meta-GGA">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedDFTFunctional"/>
+        <rdfs:comment xml:lang="en">A class for Meta-GGA approximations of density functionals.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Meta-GGA</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Methodology -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Methodology">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for the specific methodology used to conduct computational chemistry calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Methodology</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MethodologyFeature -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MethodologyFeature">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationConcept"/>
+        <rdfs:comment xml:lang="en">A class for specific features or properties of a given methodology.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Methodology Feature</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MinimalPopleBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MinimalPopleBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Minimal PopleBasis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularCalculation -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularCalculation">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Molecular Calculation.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Calculation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularComputation -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularComputation">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationConcept"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for MolecularComputation.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for the specific type of calculation (like optimization, single point, etc) conducted by a computational chemistry program.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Computation</rdfs:label>
+        <rdfs:label xml:lang="en">MolecularComputation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularConcept -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularConcept">
+        <rdfs:comment xml:lang="en">A generic class of various concepts related to molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Concept</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularDynamics -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularDynamics">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A class for the molecular dynamics computations on molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Dynamics Computation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularMechanics -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularMechanics">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:comment xml:lang="en">A class for the classical methodologies of computational chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Mechanics</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularMethodology -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularMethodology">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationConcept"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for MolecularMethodology.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for general methodologies of computational chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Methodology</rdfs:label>
+        <rdfs:label xml:lang="en">MolecularMethodology</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularStructureObject -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularStructureObject">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularConcept"/>
+        <rdfs:comment xml:lang="en">A class that represents objects of molecular structure (atoms, molecules etc).</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular Structure Object</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MolecularSystem -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MolecularSystem">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularStructureObject"/>
+        <rdfs:comment xml:lang="en">A class for MolecularSystem.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for objects related to molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecular System</rdfs:label>
+        <rdfs:label xml:lang="en">MolecularSystem</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Molecule -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Molecule">
+        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000030"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularStructureObject"/>
+        <rdfs:comment xml:lang="en">A class for Molecule.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for molecule - electrically neutral group (or polyatomic ion) of two or more atoms held together by chemical bonds.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Molecule</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MoleculeProperty -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MoleculeProperty">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for MoleculeProperty.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MoleculeProperty</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MollerPlesset -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MollerPlesset">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SupraMolecularPT"/>
+        <rdfs:comment xml:lang="en">A class for Møller–Plesset perturbation theory method of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">MollerPlesset</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MonteCarlo -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MonteCarlo">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A class for the Monte Carlo computations on molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Monte Carlo Computation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Mp2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Mp2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MollerPlesset"/>
+        <rdfs:comment xml:lang="en">A class for the second order Møller–Plesset perturbation theory method of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Mp2</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Mp3 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Mp3">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MollerPlesset"/>
+        <rdfs:comment xml:lang="en">A class for the third order Møller–Plesset perturbation theory method of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Mp3</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Mp4 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Mp4">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MollerPlesset"/>
+        <rdfs:comment xml:lang="en">A class for the fourth order Møller–Plesset perturbation theory method of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Mp4</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MullikenCharge -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MullikenCharge">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedAtomProperties"/>
+        <rdfs:comment xml:lang="en"></rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for Mulliken atom charges.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Mulliken Charge</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MullikenCharges -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MullikenCharges">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Mulliken Charges.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Mulliken Charges</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MultipleDeterminant -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MultipleDeterminant">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleReferenceState"/>
+        <owl:disjointWith rdf:resource="http://purl.org/gc/SingleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for the methods of quantum chemistry using multiple Slater determinants.</rdfs:comment>
+        <rdfs:label xml:lang="en">Multiple Determinant</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/MultipleReferenceState -->
+
+    <owl:Class rdf:about="http://purl.org/gc/MultipleReferenceState">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/QuantumMechanics"/>
+        <owl:disjointWith rdf:resource="http://purl.org/gc/SingleReferenceState"/>
+        <rdfs:comment xml:lang="en">A class representing methods of quantum chemistry using multiple reference state determinants.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Multiple Reference State</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Multiscale -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Multiscale">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:comment xml:lang="en">A class for methods of computational chemistry combining different methodologies (e.g. quantum and classical) for large molecular systems.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Multiscale Methods</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NMRSpectra -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NMRSpectra">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Spectra"/>
+        <rdfs:comment xml:lang="en">A class for nuclear magentic resonance spectra.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">NMR Spectra</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NaturalValue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NaturalValue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:comment xml:lang="en">A class for natural values, containing value and unit.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Natural Value</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NmrShieldingAnisotropy -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NmrShieldingAnisotropy">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for NMR Shielding Anisotropy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">NMR Shielding Anisotropy</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NmrShieldingIsotropic -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NmrShieldingIsotropic">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for NMR Shielding Isotropic.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">NMR Shielding Isotropic</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NormalBond -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NormalBond">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Bond"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for NormalBond.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for covalent bond in molecules.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Normal Bond</rdfs:label>
+        <rdfs:label xml:lang="en">NormalBond</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NormalMode -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NormalMode">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for NormalMode.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">NormalMode</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NuclearRepulsion -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NuclearRepulsion">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for NuclearRepulsion.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">NuclearRepulsion</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NucleicAcidResidue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NucleicAcidResidue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:comment xml:lang="en">A particular class for residues - monomers of RNA, DNA, etc.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">NucleicAcidResidue</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/NumberBasisFunc -->
+
+    <owl:Class rdf:about="http://purl.org/gc/NumberBasisFunc">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class representing the number of basis set functions used in calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Number Basis Func</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/OPTX -->
+
+    <owl:Class rdf:about="http://purl.org/gc/OPTX">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">Handy-Cohen exchange functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">OPTX</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Orbital -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Orbital">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/WaveFunction"/>
+        <rdfs:comment xml:lang="en">A class for Orbital.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for molecular orbital (MO) - a mathematical function describing an electron in a molecule.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Orbital</rdfs:label>
+        <rdfs:label xml:lang="en">Orbital (1-electron wavefunction)</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/OrbitalEnergy -->
+
+    <owl:Class rdf:about="http://purl.org/gc/OrbitalEnergy">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for OrbitalEnergy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">OrbitalEnergy</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/OrbitalOccupancy -->
+
+    <owl:Class rdf:about="http://purl.org/gc/OrbitalOccupancy">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for OrbitalOccupancy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">OrbitalOccupancy</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/OrbitalSymmetry -->
+
+    <owl:Class rdf:about="http://purl.org/gc/OrbitalSymmetry">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for OrbitalSymmetry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">OrbitalSymmetry</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/OscillatorStrength -->
+
+    <owl:Class rdf:about="http://purl.org/gc/OscillatorStrength">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for OscillatorStrength.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">OscillatorStrength</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/OtherResidue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/OtherResidue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:comment xml:lang="en">A particular class for residue - monomers of some sort - example polymer.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">OtherResidue</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PBE -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PBE">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Perdew-Burke-Ernzerhof functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PBE</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PBE0 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PBE0">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Hybrids"/>
+        <rdfs:comment xml:lang="en">Perdew-Burke-Ernzerhof hybrid functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PBE0</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PBE96C -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PBE96C">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Perdew-Burke-Ernzerhof 1996 correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PBE96C</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PBE96X -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PBE96X">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">Perdew-Burke-Ernzerhof 1996 exchange functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PBE96X</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PW -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PW">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/LocalDensityApprox-LDA"/>
+        <rdfs:comment xml:lang="en">Perdew-Wang functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PW</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PW91 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PW91">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GeneralizedGradientApprox-GGA"/>
+        <rdfs:comment xml:lang="en">Perdew-Wang 1991 functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PW91</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PW91C -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PW91C">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Perdew-Wang 1991 correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PW91C</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PW91X -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PW91X">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">Perdew-Wang 1991 exchange functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PW91X</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/LocalDensityApprox-LDA"/>
+        <rdfs:comment xml:lang="en">Perdew-Zunger functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PZ</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PZ81 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PZ81">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Perdew-Zunger 1981 correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PZ81</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ParameterSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ParameterSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class representing a specific set of parameters used by the Force Field calculations (Molecular Mechanics).</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Parameter Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PeptideResidue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PeptideResidue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Residue"/>
+        <rdfs:comment xml:lang="en">A particular class for residues - monomers of polypeptide and protein</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">PeptideResidue</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Perdew86 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Perdew86">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Perdew 1996 correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Perdew86</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PolarizedPopleBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PolarizedPopleBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople basis sets with polarization functions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Polarized split Valence Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PopleBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PopleBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/BasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Pople Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Publication -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Publication">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PublicationConcept"/>
+        <rdfs:comment xml:lang="en">A generic class for objects related to the publication of results of computational chemistry calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Publication</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/PublicationConcept -->
+
+    <owl:Class rdf:about="http://purl.org/gc/PublicationConcept">
+        <rdfs:comment xml:lang="en">A generic class representing concepts related to publications.</rdfs:comment>
+        <rdfs:label xml:lang="en">Publication Concept</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/QCISD -->
+
+    <owl:Class rdf:about="http://purl.org/gc/QCISD">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/QuadraticCI"/>
+        <rdfs:comment xml:lang="en">A class for the quadratic configuration interaction (QCI) method with single and double substitutions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">QCISD</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/QCISD-T -->
+
+    <owl:Class rdf:about="http://purl.org/gc/QCISD-T">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/QuadraticCI"/>
+        <rdfs:comment xml:lang="en">A class for the quadratic configuration interaction (QCI) method with single, double, and approximate triple substitutions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">QCISD(T)</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/QuadraticCI -->
+
+    <owl:Class rdf:about="http://purl.org/gc/QuadraticCI">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MultipleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for the quadratic configuration interaction (QCI) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">QuadraticCI</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Quadruple -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Quadruple">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/NormalBond"/>
+        <rdfs:comment xml:lang="en">??? !!!</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Quadruple</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/QuantumMechanics -->
+
+    <owl:Class rdf:about="http://purl.org/gc/QuantumMechanics">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularMethodology"/>
+        <rdfs:comment xml:lang="en">A class for Quantum Mechanical methods.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for QuantumMechanics.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Quantum Mechanics</rdfs:label>
+        <rdfs:label xml:lang="en">QuantumMechanics</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/RASPT2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/RASPT2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MCSCF"/>
+        <rdfs:comment xml:lang="en">A class for the restricted active space perturbation theory methods.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">RASPT2</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/RASSCF -->
+
+    <owl:Class rdf:about="http://purl.org/gc/RASSCF">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MCSCF"/>
+        <rdfs:comment xml:lang="en">A class for the Restricted Active Space Multiconfiguration SCF (RASSCF) method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">RASSCF</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/RHF -->
+
+    <owl:Class rdf:about="http://purl.org/gc/RHF">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/RamanSpectra -->
+
+    <owl:Class rdf:about="http://purl.org/gc/RamanSpectra">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/VibrationalSpectra"/>
+        <rdfs:comment xml:lang="en">A class for vibrational spectra resulting from Raman intensities.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Raman Spectra</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/RayleighSchroedinger -->
+
+    <owl:Class rdf:about="http://purl.org/gc/RayleighSchroedinger">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SupraMolecularPT"/>
+        <rdfs:comment xml:lang="en">A class for Møller–Plesset perturbation theory method of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">RayleighSchroedinger</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Reference -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Reference">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for a reference.</rdfs:comment>
+        <rdfs:label xml:lang="en">Reference</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Residue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Residue">
+        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000030"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularStructureObject"/>
+        <rdfs:comment xml:lang="en">A class for Residue.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for residues - monomers of polysaccharide, protein, nucleic acid or polymer</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Residue</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/ResidueProperty -->
+
+    <owl:Class rdf:about="http://purl.org/gc/ResidueProperty">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for ResidueProperty.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">ResidueProperty</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/RmsGradient -->
+
+    <owl:Class rdf:about="http://purl.org/gc/RmsGradient">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for Rms Gradient.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Rms Gradient</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SAPT -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SAPT">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/InterMolecularPT"/>
+        <rdfs:comment xml:lang="en">A class for the symmetry-adapted perturbation theory for intermolecular interactions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SAPT</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SAPT0 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SAPT0">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SAPT"/>
+        <rdfs:comment xml:lang="en">A class for a sub-class of symmetry-adapted perturbation theory for intermolecular interactions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SAPT0</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SAPT2 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SAPT2">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SAPT"/>
+        <rdfs:comment xml:lang="en">A class for a sub-class of symmetry-adapted perturbation theory for intermolecular interactions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SAPT2</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SAPT2p -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SAPT2p">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SAPT"/>
+        <rdfs:comment xml:lang="en">A class for a sub-class of symmetry-adapted perturbation theory for intermolecular interactions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SAPT2+</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SAPT2p3 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SAPT2p3">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SAPT"/>
+        <rdfs:comment xml:lang="en">A class for a sub-class of symmetry-adapted perturbation theory for intermolecular interactions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SAPT2+3</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SAPT2p_3_ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SAPT2p_3_">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SAPT"/>
+        <rdfs:comment xml:lang="en">A class for a sub-class of symmetry-adapted perturbation theory for intermolecular interactions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SAPT2+(3)</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/STO-2G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/STO-2G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MinimalPopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal STO-2G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">STO-2G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/STO-3G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/STO-3G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MinimalPopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal STO-3G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">STO-3G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/STO-3GS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/STO-3GS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MinimalPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal STO-3G basis set with polarization functions.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">STO-3G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/STO-4G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/STO-4G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MinimalPopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal STO-4G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">STO-4G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/STO-5G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/STO-5G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MinimalPopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal STO-5G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">STO-5G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/STO-6G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/STO-6G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MinimalPopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople minimal STO-6G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">STO-6G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SemiEmpiricalScf -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SemiEmpiricalScf">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for SemiEmpirical Methods of Quantum Chemistry</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Semi-empirical Scf</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Single -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Single">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/NormalBond"/>
+        <rdfs:comment xml:lang="en">A class for Single.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for single covalent bonds.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Single</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SingleDeterminant -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SingleDeterminant">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleReferenceState"/>
+        <rdfs:comment xml:lang="en">A class for Single Determinant methods of Quantum Chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Single Determinant</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SinglePoint -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SinglePoint">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A class for Single Point calculations - computation of the energy of molecular system for given geometry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Single Point</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SingleReferenceState -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SingleReferenceState">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/QuantumMechanics"/>
+        <rdfs:comment xml:lang="en">A class for Single Reference (SR) coupled-cluster methods.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Single Reference State</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Slater -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Slater">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/ExchangeFunctional"/>
+        <rdfs:comment xml:lang="en">Slater exchange functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Slater</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SourcePackage -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SourcePackage">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PublicationConcept"/>
+        <rdfs:comment xml:lang="en">A class for SourcePackage.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for quantum chemistry packages used to peform computations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Source Package</rdfs:label>
+        <rdfs:label xml:lang="en">SourcePackage</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Spectra -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Spectra">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationResult"/>
+        <rdfs:comment xml:lang="en">A class for general spectra.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Spectra Class</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SpectralFeatures -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SpectralFeatures">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationResult"/>
+        <rdfs:comment xml:lang="en">A class for general spectra.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Features of Spectra</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SpinSpinCouplingConstant -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SpinSpinCouplingConstant">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculatedAtomAtomProperties"/>
+        <rdfs:comment xml:lang="en"></rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for NMR coupling constants.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Spin-Spin Coupling Constant</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SpinType -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SpinType">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MethodologyFeature"/>
+        <rdfs:comment xml:lang="en">A class for method for spin treatment in quantum chemical calculations (rhf,uhf,rohf).</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Spin Type</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SplitValencePopleBasisSet -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SplitValencePopleBasisSet">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence basis sets.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Split Valence Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SubmittingAuthor -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SubmittingAuthor">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Author"/>
+        <rdfs:comment xml:lang="en">A class for author submitting this publication.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Submitting Author</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SupraMolecularPT -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SupraMolecularPT">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MBPerturbationTheory"/>
+        <rdfs:comment xml:lang="en">A class for perturbation theory method applied to whole molecular systems of quantum chemistry.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SupraMolecularPT</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SystemCharge -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SystemCharge">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for SystemCharge.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SystemCharge</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SystemEnergies -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SystemEnergies">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationResult"/>
+        <rdfs:comment xml:lang="en">A class for various types of energies associated with molecular system.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">System Energies</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SystemMultiplicity -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SystemMultiplicity">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for SystemMultiplicity.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SystemMultiplicity</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SystemProperty -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SystemProperty">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for systemProperty.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">systemProperty</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SystemTemperature -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SystemTemperature">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for SystemTemperature.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">SystemTemperature</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/SystemWaveFunction -->
+
+    <owl:Class rdf:about="http://purl.org/gc/SystemWaveFunction">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/WaveFunction"/>
+        <rdfs:comment xml:lang="en">An N-electron wave function describing the whole molecular system.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">The system N-electron wavefunction</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/TPSS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/TPSS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Meta-GGA"/>
+        <rdfs:comment xml:lang="en">Tao-Perdew-Staroverov-Scuseria functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">TPSS</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/TPSSh -->
+
+    <owl:Class rdf:about="http://purl.org/gc/TPSSh">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Hybrids"/>
+        <rdfs:comment xml:lang="en">Tao-Perdew-Staroverov-Scuseria hybrid functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">TPSSh</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/TZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/TZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DunningBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Dunning TZ triple zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">TZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Tddft -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Tddft">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SingleDeterminant"/>
+        <rdfs:comment xml:lang="en">A class for methods for excited states and response properties from the family of Density Functional Theories.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Tddft</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/TotalBOPotentialEnergy -->
+
+    <owl:Class rdf:about="http://purl.org/gc/TotalBOPotentialEnergy">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SystemEnergies"/>
+        <rdfs:comment xml:lang="en">A class for the Born-Oppenheimer Total Energy (Electronic plus Nuclear Repulsion) (i.e. potential energy for subsequent MD and other statistical mechanics uses).</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Total Born-Oppenheimer Potential Energy</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/TotalPotential -->
+
+    <owl:Class rdf:about="http://purl.org/gc/TotalPotential">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for TotalPotential.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">TotalPotential</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Triple -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Triple">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/NormalBond"/>
+        <rdfs:comment xml:lang="en">A class for triple covalent bond.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Triple</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/UVVisSpectrum -->
+
+    <owl:Class rdf:about="http://purl.org/gc/UVVisSpectrum">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for UVVis Spectrum.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">UVVis Spectrum</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VDZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VDZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AhlrichsBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the ahlrichs VDZ double zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">VDZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VTZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VTZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AhlrichsBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the ahlrichs VDZ double zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">VTZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VWN -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VWN">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/LocalDensityApprox-LDA"/>
+        <rdfs:comment xml:lang="en">Vosco-Wilks-Nusair functional.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">VWN</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VWN3 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VWN3">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Vosco-Wilks-Nusair Formula 3 correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">VWN3</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VWN5 -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VWN5">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CorrelationFunctional"/>
+        <rdfs:comment xml:lang="en">Vosco-Wilks-Nusair Formula 5 correlation functional</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">VWN5</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/Value -->
+
+    <owl:Class rdf:about="http://purl.org/gc/Value">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/AuxiliaryConcept"/>
+        <rdfs:comment xml:lang="en">This is super class for the expression of various types of values.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Value</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VectorValue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VectorValue">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Value"/>
+        <rdfs:comment xml:lang="en">A class for vector type of data, containing value and unit.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Vector Value</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VibrationalAnalysis -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VibrationalAnalysis">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularComputation"/>
+        <rdfs:comment xml:lang="en">A class for VibrationalAnalysis.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for the computations of vibrational spectrum of molecules.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Vibrational Analysis</rdfs:label>
+        <rdfs:label xml:lang="en">VibrationalAnalysis</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/VibrationalSpectra -->
+
+    <owl:Class rdf:about="http://purl.org/gc/VibrationalSpectra">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/Spectra"/>
+        <rdfs:comment xml:lang="en">A class for spectra resulting from the molecular vibrations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Vibrational Spectra</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/WaveFunction -->
+
+    <owl:Class rdf:about="http://purl.org/gc/WaveFunction">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CalculationResult"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for WaveFunction.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for the mathematical description of a quantum particle, in most practical cases of the electron.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Wave Function</rdfs:label>
+        <rdfs:label xml:lang="en">WaveFunction</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/WaveFunctionCoefficient -->
+
+    <owl:Class rdf:about="http://purl.org/gc/WaveFunctionCoefficient">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/GainesvilleCoreTerm"/>
+        <rdfs:comment xml:lang="en">A class for WaveFunctionCoefficient.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">WaveFunctionCoefficient</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/aug-cc-pV5Z -->
+
+    <owl:Class rdf:about="http://purl.org/gc/aug-cc-pV5Z">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCQuintupleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the aug-cc-pV5Z Correlation Consistent Quintuple Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">aug-cc-pV5Z Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/aug-cc-pVDZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/aug-cc-pVDZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCDoubleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the aug-cc-pVDZ Correlation Consistent Double Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">aug-cc-pVDZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/aug-cc-pVQZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/aug-cc-pVQZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCQuadrupleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the aug-cc-pVQZ Correlation Consistent Quadruple Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">aug-cc-pVQZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/aug-cc-pVTZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/aug-cc-pVTZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCTripleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the aug-cc-pVTZ Correlation Consistent Triple Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">aug-cc-pVTZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/aug-cc-pV_DPD_Z -->
+
+    <owl:Class rdf:about="http://purl.org/gc/aug-cc-pV_DPD_Z">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCDoubleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the aug-cc-pV(D+d)Z Correlation Consistent Double Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">aug-cc-pV(D+d)Z Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/cc-pV5Z -->
+
+    <owl:Class rdf:about="http://purl.org/gc/cc-pV5Z">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCQuintupleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the cc-pV5Z Correlation Consistent Quintuple Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">cc-pV5Z Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/cc-pVDZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/cc-pVDZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCDoubleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the cc-pVDZ Correlation Consistent Double Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">cc-pVDZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/cc-pVQZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/cc-pVQZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCQuadrupleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the cc-pVQZ Correlation Consistent Quadruple Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">cc-pVQZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/cc-pVTZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/cc-pVTZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCTripleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the cc-pVTZ Correlation Consistent Triple Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">cc-pVTZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/d-aug-cc-pVDZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/d-aug-cc-pVDZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCDoubleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the d-aug-cc-pVDZ Correlation Consistent Double Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">d-aug-cc-pVDZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/hasFloatValue -->
+
+    <owl:Class rdf:about="http://purl.org/gc/hasFloatValue"/>
+    
+
+
+    <!-- http://purl.org/gc/jun-cc-pVDZ -->
+
+    <owl:Class rdf:about="http://purl.org/gc/jun-cc-pVDZ">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/CCDoubleZeta"/>
+        <rdfs:comment xml:lang="en">A class for the jun-cc-pVDZ Correlation Consistent Double Zeta basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">jun-cc-pVDZ Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/3-21G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/3-21G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 3-21G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">3-21G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/3-21GS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/3-21GS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople polarization split valence 3-21G* basis set.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 3-21G* basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">3-21G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/3-21pG -->
+
+    <owl:Class rdf:about="http://purl.org/gc/3-21pG">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DiffusePopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 3-21+G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">3-21+G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/3-21pGS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/3-21pGS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DiffusePopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 3-21+G* basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">3-21+G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/4-31G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/4-31G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 4-31G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">4-31G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-31G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-31G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 6-31G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-31G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-31GS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-31GS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople polarization split valence 6-31G* basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-31G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-31GSS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-31GSS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople polarization split valence 6-31G** basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-31G** Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-31pGS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-31pGS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DiffusePopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople polarization split valence 6-31+G* basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-31+G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-311G -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-311G">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 6-311G basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-311G Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-311GS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-311GS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 6-311G* basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-311G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purl.org/gc/6-311pGS -->
+
+    <owl:Class rdf:about="http://purl.org/gc/6-311pGS">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/DiffusePopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/PolarizedPopleBasisSet"/>
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/SplitValencePopleBasisSet"/>
+        <rdfs:comment xml:lang="en">A class for the Pople split valence 6-311+G* basis set.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">6-311+G* Basis Set</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://www.daml.org/2003/01/periodictable/PeriodicTable#Element -->
+
+    <owl:Class rdf:about="http://www.daml.org/2003/01/periodictable/PeriodicTable#Element">
+        <rdfs:subClassOf rdf:resource="http://purl.org/gc/MolecularConcept"/>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/2000/01/rdf-schema#Class -->
+
+    <owl:Class rdf:about="http://www.w3.org/2000/01/rdf-schema#Class"/>
+    
+
+
+    <!-- http://www.w3.org/2002/07/owl#ObjectProperty -->
+
+    <owl:Class rdf:about="http://www.w3.org/2002/07/owl#ObjectProperty"/>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Individuals
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#Angstrom -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#Angstrom">
+        <owl:sameAs rdf:resource="http://purl.org/gc/angstrom"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#ElectronVolt -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#ElectronVolt">
+        <owl:sameAs rdf:resource="http://purl.org/gc/electronVolts"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#Hartree -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#Hartree">
+        <owl:sameAs rdf:resource="http://purl.org/gc/hartree"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#Kelvin -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#Kelvin">
+        <owl:sameAs rdf:resource="http://data.nasa.gov/qudt/owl/unit#kelvin"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#Kilocalorie -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#Kilocalorie">
+        <owl:sameAs rdf:resource="http://purl.org/gc/kiloCalories"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#KilogramPerMole -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#KilogramPerMole">
+        <owl:sameAs rdf:resource="http://purl.org/gc/kmPerMol"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#kelvin -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#kelvin">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#TemperatureUnit"/>
+        <rdfs:comment xml:lang="en">a unit of temperature.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Kelvin</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://data.nasa.gov/qudt/owl/unit#nano_meter -->
+
+    <owl:NamedIndividual rdf:about="http://data.nasa.gov/qudt/owl/unit#nano_meter">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#DerivedUnit"/>
+        <rdfs:comment xml:lang="en">a unit of length</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">nano meter</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/Amber -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/Amber">
+        <rdf:type rdf:resource="http://purl.org/gc/ForceField"/>
+        <rdfs:comment xml:lang="en">The Amber force field.</rdfs:comment>
+        <rdfs:label>Amber</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/Bond -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/Bond">
+        <rdf:type>
+            <owl:Restriction>
+                <owl:onProperty rdf:resource="http://purl.org/gc/binds"/>
+                <owl:cardinality rdf:datatype="http://www.w3.org/2001/XMLSchema#nonNegativeInteger">2</owl:cardinality>
+            </owl:Restriction>
+        </rdf:type>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/Charmm -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/Charmm">
+        <rdf:type rdf:resource="http://purl.org/gc/ForceField"/>
+        <rdfs:comment xml:lang="en">The Charmm force field.</rdfs:comment>
+        <rdfs:label>Charmm</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/DefaultAmberParameterSet -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/DefaultAmberParameterSet">
+        <rdf:type rdf:resource="http://purl.org/gc/ParameterSet"/>
+        <rdfs:comment xml:lang="en">Default Amber parameter set.</rdfs:comment>
+        <rdfs:label xml:lang="en">Default Amber Parameter Set</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/DefaultCharmmParameterSet -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/DefaultCharmmParameterSet">
+        <rdf:type rdf:resource="http://purl.org/gc/ParameterSet"/>
+        <rdfs:comment xml:lang="en">Default Charmm parameter set.</rdfs:comment>
+        <rdfs:label xml:lang="en">Default Charmm Parameter Set</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/DefaultMMPParameterSet -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/DefaultMMPParameterSet">
+        <rdf:type rdf:resource="http://purl.org/gc/ParameterSet"/>
+        <rdfs:comment xml:lang="en">Default MM plus parameter set</rdfs:comment>
+        <rdfs:label xml:lang="en">Default MMP Parameter Set</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/DefaultOPLSParameterSet -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/DefaultOPLSParameterSet">
+        <rdf:type rdf:resource="http://purl.org/gc/ParameterSet"/>
+        <rdfs:comment xml:lang="en">Default OPLS parameter set.</rdfs:comment>
+        <rdfs:label xml:lang="en">Default OPLS Parameter Set</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/NormalMethodology -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/NormalMethodology">
+        <rdf:type rdf:resource="http://purl.org/gc/Methodology"/>
+        <rdfs:comment xml:lang="en">A normal methodology.</rdfs:comment>
+        <rdfs:label xml:lang="en">Normal</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/Opls -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/Opls">
+        <rdf:type rdf:resource="http://purl.org/gc/ForceField"/>
+        <rdfs:comment xml:lang="en">The OPLS force field.</rdfs:comment>
+        <rdfs:label>Opls</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/RHF -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/RHF">
+        <rdf:type rdf:resource="http://purl.org/gc/SpinType"/>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/ROHF -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/ROHF">
+        <rdf:type rdf:resource="http://purl.org/gc/SpinType"/>
+        <rdfs:comment xml:lang="en">Open-shell restricted Hartree-Fock method.</rdfs:comment>
+        <rdfs:label xml:lang="en">ROHF</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/UHF -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/UHF">
+        <rdf:type rdf:resource="http://purl.org/gc/SpinType"/>
+        <rdfs:comment xml:lang="en">Unrestricted Hartree-Fock method.</rdfs:comment>
+        <rdfs:label xml:lang="en">UHF</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/angstrom -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/angstrom">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#LengthUnit"/>
+        <rdfs:comment xml:lang="en">A unit of length.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">angstrom</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/atomicUnit -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/atomicUnit">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#LengthUnit"/>
+        <rdfs:comment xml:lang="en">Atomic Unit this is measure in units of elementary atomic charge called atomicUnits (a.u) .
+	The elementary unit of charge (e) is called an atomic unit (a.u.) of charge and is so many Coulombs (1.6 *10**(-19) Coulombs. (float)</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Atomic Unit</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/cm-1 -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/cm-1">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#DerivedUnit"/>
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#FrequencyUnit"/>
+        <rdfs:comment xml:lang="en">A wavenumber - the unit of frequency.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">cm-1</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/debye -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/debye">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#ElectricDipoleMomentUnit"/>
+        <rdfs:comment xml:lang="en"></rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">debye</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/electronVolts -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/electronVolts">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#EnergyAndWorkUnit"/>
+        <rdfs:comment xml:lang="en">the unit of energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">electron volts</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/hartree -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/hartree">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#EnergyAndWorkUnit"/>
+        <rdfs:comment xml:lang="en">the unit of energy.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">hartree</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/kiloCalories -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/kiloCalories">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#DerivedUnit"/>
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#EnergyAndWorkUnit"/>
+        <rdfs:comment xml:lang="en">the unit of energy</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">kilo calories</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/kiloCaloriesPerAngstrom -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/kiloCaloriesPerAngstrom">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#DerivedUnit"/>
+        <rdfs:comment xml:lang="en">???</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">kilo calories per angstrom</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/kiloJoules -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/kiloJoules">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#EnergyAndWorkUnit"/>
+        <rdfs:comment xml:lang="en">a unit of energy</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">kilo joules</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/kmPerMol -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/kmPerMol">
+        <rdf:type rdf:resource="http://data.nasa.gov/qudt/owl/qudt#ChemistryUnit"/>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">kilo grap per mol</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purl.org/gc/Mm+ -->
+
+    <owl:NamedIndividual rdf:about="http://purl.org/gc/Mm+">
+        <rdf:type rdf:resource="http://purl.org/gc/ForceField"/>
+        <rdfs:comment xml:lang="en">MM+ force field.</rdfs:comment>
+        <rdfs:label>Mm+</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Annotations
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    <rdf:Description rdf:about="http://purl.org/gc/Bond">
+        <rdfs:comment xml:lang="en">A class for generic chemical bond.</rdfs:comment>
+        <rdfs:label xml:lang="en">Bond</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/RHF">
+        <rdfs:comment xml:lang="en">A class for RHF.</rdfs:comment>
+        <rdfs:label xml:lang="en">RHF</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">Restricted Hartree-Fock method.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasAtomProperty">
+        <rdfs:label xml:lang="en">Generic property of atoms</rdfs:label>
+        <rdfs:label xml:lang="en">Atom Property</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that allows to describe an atom, like NMR Shielding</rdfs:comment>
+        <rdfs:comment xml:lang="en">A property that allows to declare a general property for an atom.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasBasisSet">
+        <rdfs:comment xml:lang="en">A property that allows Basis Sets to be assigned to a given quantum methodology</rdfs:comment>
+        <rdfs:label xml:lang="en">has basis set</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">A property that allows to define Basis Set -  finite set of functions used to approximately express the Molecular Orbital wavefunction(s) of system, normally atom centered, consisting of AOs differing in local angular momentum for each atom.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasBondOrder">
+        <rdfs:label xml:lang="en">Bond order</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that specifies bond order.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasBondType">
+        <rdfs:comment>A property that describes bond type@en </rdfs:comment>
+        <rdfs:comment xml:lang="en">A property that describes Bond Type</rdfs:comment>
+        <rdfs:label xml:lang="en">Bond Type</rdfs:label>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasExcitedStateMethod">
+        <rdfs:comment xml:lang="en">A property that defines the method for the calculation of the excited states of molecules.</rdfs:comment>
+        <rdfs:label xml:lang="en">has excited state method</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasFile">
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">A property that describes the attachment file.</rdfs:comment>
+        <rdfs:label xml:lang="en">has file</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that describes the reference to the attachment file.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasFloatValue">
+        <rdfs:comment xml:lang="en">A property that describes floating point value.</rdfs:comment>
+        <rdfs:label xml:lang="en">has float value</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasForceField">
+        <rdfs:comment xml:lang="en">A property that describes a specific force field for given Molecular Mechanics method.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has force field</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that describes Force Field.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasMass">
+        <rdfs:label xml:lang="en">Mass of a molecular entity</rdfs:label>
+        <rdfs:comment xml:lang="en">A property ...</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasMethodology">
+        <rdfs:label xml:lang="en">has methodology</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">A property that describes a methodology of computations.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A property that describes the methodology of the computations.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasMolecularFeature">
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">Generic Datatype Property for Molecular Features related to computations</rdfs:label>
+        <rdfs:comment>The upper property for various properties related to Molecular Data</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasMolecularMechanics">
+        <rdfs:comment xml:lang="en">A property that says (true/false) if there is MM calculation</rdfs:comment>
+        <rdfs:label xml:lang="en">There is Molecular Mechanical Calculation</rdfs:label>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasMultipleDeterminant">
+        <rdfs:label xml:lang="en">Multiple Determinant</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that specifies Multiple Determinant.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasOccupiedOrbitalsIncluded">
+        <rdfs:comment xml:lang="en">A property that describes the inclusion of occupied orbitals in electronic spectra calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has occupied orbitals included</rdfs:label>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasOpenShellTreatment">
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">A property that describes the treatment of open shell systems.</rdfs:comment>
+        <rdfs:label xml:lang="en">has open shell treatment</rdfs:label>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasOrbitalCount">
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has orbital count</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that defines the number of electron orbitals</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasOrbitalSymmetry">
+        <rdfs:label xml:lang="en">has orbital symmetry</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">A property that defines Orbital symmetry</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasParameterSet">
+        <rdfs:comment xml:lang="en">A property that defines the parametr set for calculations.</rdfs:comment>
+        <rdfs:label xml:lang="en">has parameter set</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:comment xml:lang="en">A property that describes a specific parameter set for Molecular Mechanics calculations.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasQuantumMechanics">
+        <rdfs:label xml:lang="en">There is Quantum Mechanical Calculation</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that says (true/false) if there is QM calculation</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasSource">
+        <rdfs:label xml:lang="en">Source of calculations (software)</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that describes softare package</rdfs:comment>
+        <rdfs:comment>A property that reports what software package was used</rdfs:comment>
+        <rdfs:label xml:lang="en">Source</rdfs:label>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasSpinType">
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has spin type</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that defines the spin type.</rdfs:comment>
+        <rdfs:comment xml:lang="en">A property that describes handling of spins by the methodology (RHF,UHF,ROHF).</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasSystemMultiplicity">
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has system multiplicity</rdfs:label>
+        <rdfs:comment xml:lang="en">A property that describes the system spin multiplicity.</rdfs:comment>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasTransitionCount">
+        <rdfs:comment xml:lang="en">A property that describes the number of the electronic transitions in spectral calculations.</rdfs:comment>
+        <rdfs:label xml:lang="en">has transition count</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasUnoccupiedOrbitalsIncluded">
+        <rdfs:comment xml:lang="en">A property that describes the inclusion of occupied orbitals in electronic spectra calculations.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+        <rdfs:label xml:lang="en">has unoccupied orbitals included</rdfs:label>
+    </rdf:Description>
+    <rdf:Description rdf:about="http://purl.org/gc/hasVibrationCount">
+        <rdfs:comment xml:lang="en">A property that describes the number of vibrational frequencies.</rdfs:comment>
+        <rdfs:label xml:lang="en">has vibration count</rdfs:label>
+        <rdfs:isDefinedBy rdf:resource="http://chemicalsemantics.com/"/>
+    </rdf:Description>
+</rdf:RDF>
+
+
+
+<!-- Generated by the OWL API (version 4.1.3.20151118-2017) https://github.com/owlcs/owlapi -->
+
diff --git a/external/gc07.yaml b/external/gc07.yaml
new file mode 100644
index 0000000..e519db3
--- /dev/null
+++ b/external/gc07.yaml
@@ -0,0 +1,2991 @@
+id: http://purl.org/gc/
+name: gc
+description: gc
+imports:
+- linkml:types
+prefixes:
+  linkml: https://w3id.org/linkml/
+  gc: http://purl.org/gc/
+default_prefix: gc
+types: {}
+classes:
+  AtomicPhysicsQuantityKind:
+    class_uri: qudt:AtomicPhysicsQuantityKind
+  ChemistryUnit:
+    class_uri: qudt:ChemistryUnit
+    is_a: AuxiliaryConcept
+  DerivedUnit:
+    class_uri: qudt:DerivedUnit
+    is_a: AuxiliaryConcept
+  ElectricDipoleMomentUnit:
+    class_uri: qudt:ElectricDipoleMomentUnit
+    is_a: AuxiliaryConcept
+  EnergyAndWorkUnit:
+    class_uri: qudt:EnergyAndWorkUnit
+    is_a: AuxiliaryConcept
+  FrequencyUnit:
+    class_uri: qudt:FrequencyUnit
+    is_a: AuxiliaryConcept
+  LengthUnit:
+    class_uri: qudt:LengthUnit
+    is_a: AuxiliaryConcept
+  TemperatureUnit:
+    class_uri: qudt:TemperatureUnit
+    is_a: AuxiliaryConcept
+  BFO_0000027:
+    class_uri: bfo:BFO_0000027
+  BFO_0000030:
+    class_uri: bfo:BFO_0000030
+  publisher:
+    class_uri: dc:publisher
+  AbInitioScf:
+    class_uri: gc:AbInitioScf
+    is_a: SingleDeterminant
+    comments:
+    - "A class for Self Consistent Field methods (Hartree-Fock methods) for approximate\
+      \ solution of Schr\xF6dinger equation for quantum many body system.@en"
+  AbinitioScf:
+    class_uri: gc:AbinitioScf
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AbinitioScf.@en
+  AhlrichsBasisSet:
+    class_uri: gc:AhlrichsBasisSet
+    is_a: BasisSet
+    comments:
+    - A class for the Correlation Consistent basis sets.@en
+  AlphaOrbital:
+    class_uri: gc:AlphaOrbital
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AlphaOrbital.@en
+  Aromatic:
+    class_uri: gc:Aromatic
+    is_a: NormalBond
+    comments:
+    - A class for bonds with aromatic character@en
+  Atom:
+    class_uri: gc:Atom
+    slots:
+    - hasAtomCoordinateX
+    - hasAtomCoordinateY
+    - hasAtomCoordinateZ
+    - hasAtomProperty
+    - hasBasisSet
+    - hasBond
+    - hasCalculatedAtomCharge
+    - hasCoordinates
+    - hasFormalCharge
+    - hasMass
+    - hasShielding
+    - isElement
+    - hasBondCount
+    - hasElementSymbol
+    is_a: MolecularStructureObject
+    mixins:
+    - BFO_0000030
+    - GainesvilleCoreTerm
+    comments:
+    - A class for Atom.@en
+    - A class for atoms, the basic unit of matter.@en
+  AtomCoordinateX:
+    class_uri: gc:AtomCoordinateX
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AtomCoordinateX.@en
+  AtomCoordinateY:
+    class_uri: gc:AtomCoordinateY
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AtomCoordinateY.@en
+  AtomCoordinateZ:
+    class_uri: gc:AtomCoordinateZ
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AtomCoordinateZ.@en
+  AtomCoordinates:
+    class_uri: gc:AtomCoordinates
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AtomCoordinates.@en
+  AtomProperty:
+    class_uri: gc:AtomProperty
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AtomProperty.@en
+  AtomicMass:
+    class_uri: gc:AtomicMass
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for AtomicMass.@en
+  Author:
+    class_uri: gc:Author
+    slots:
+    - hasEmail
+    - hasFirstName
+    - hasLastName
+    - hasOrganization
+    is_a: PublicationConcept
+    comments:
+    - A class for all authors of this publication.@en
+  AuxiliaryConcept:
+    class_uri: gc:AuxiliaryConcept
+    comments:
+    - A generic class representing Auxiliary concepts.@en
+  B3LYP:
+    class_uri: gc:B3LYP
+    is_a: Hybrids
+    comments:
+    - Becke-Lee-Yang-Parr hybrid functional.@en
+  B97:
+    class_uri: gc:B97
+    is_a: Hybrids
+    comments:
+    - The Becke 1997 hybrid functional.@en
+  BLYP:
+    class_uri: gc:BLYP
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Becke-Lee-Yang-Parr functional.@en
+  BOMolecularDynamics:
+    class_uri: gc:BOMolecularDynamics
+    is_a: MolecularDynamics
+    comments:
+    - A class for the Born-Oppenheimer molecular dynamics computations on molecular
+      systems.@en
+  BP86:
+    class_uri: gc:BP86
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Becke-Perdew86 functional.@en
+  BasisSet:
+    class_uri: gc:BasisSet
+    is_a: MethodologyFeature
+    comments:
+    - A class for the basis set. In computational chemistry basis set is a set of
+      functions which are combined to create molecular orbitals.@en
+  Becke88:
+    class_uri: gc:Becke88
+    is_a: ExchangeFunctional
+    comments:
+    - Becke 1988 exchange functional@en
+  BetaOrbital:
+    class_uri: gc:BetaOrbital
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for BetaOrbital.@en
+  Bond:
+    class_uri: gc:Bond
+    slots:
+    - binds
+    - hasBondLength
+    - hasBondOrder
+    - hasBondType
+    - hasMultipleDeterminant
+    is_a: MolecularStructureObject
+    comments:
+    - A class for generic chemical bond.@en
+  BondTypes:
+    class_uri: gc:BondTypes
+  CASPT2:
+    class_uri: gc:CASPT2
+    is_a: MCSCF
+    comments:
+    - A class for the complete active space perturbation theory methods.@en
+  CASSCF:
+    class_uri: gc:CASSCF
+    is_a: MCSCF
+    comments:
+    - A class for the Complete Active Space Multiconfiguration SCF (CASSCF) method.@en
+  CC:
+    class_uri: gc:CC
+    is_a: MultipleDeterminant
+    comments:
+    - A class for the coupled cluster method.@en
+  CC-2:
+    class_uri: gc:CC-2
+    is_a: CCSecondOrder
+    comments:
+    - A class for the coupled cluster method with a treatment singles, doubles.@en
+  CC-3:
+    class_uri: gc:CC-3
+    is_a: CCThirdOrderSelfConsistent
+    comments:
+    - A class for the coupled cluster method with a treatment singles, doubles, and
+      triples.@en
+  CC2:
+    class_uri: gc:CC2
+    is_a: CCSecondOrder
+    comments:
+    - A class for the coupled cluster method with a treatment singles, doubles.@en
+  CC3:
+    class_uri: gc:CC3
+    is_a: CCThirdOrderSelfConsistent
+    comments:
+    - A class for the coupled cluster method with a treatment singles, doubles, and
+      triples.@en
+  CCD:
+    class_uri: gc:CCD
+    is_a: CCSecondOrder
+    comments:
+    - A class for the coupled cluster method with double substitutions.@en
+  CCDoubleZeta:
+    class_uri: gc:CCDoubleZeta
+    is_a: CorrelationConsistentBasisSet
+    comments:
+    - A class for the CCDZ Correlation Consistent Double Zeta basis sets.@en
+  CCQuadrupleZeta:
+    class_uri: gc:CCQuadrupleZeta
+    is_a: CorrelationConsistentBasisSet
+    comments:
+    - A class for the CCQZ Correlation Consistent Quadrupole Zeta basis sets.@en
+  CCQuintupleZeta:
+    class_uri: gc:CCQuintupleZeta
+    is_a: CorrelationConsistentBasisSet
+    comments:
+    - A class for the CC5Z Correlation Consistent Quintuple Zeta basis sets.@en
+  CCSD:
+    class_uri: gc:CCSD
+    is_a: CCSecondOrder
+    comments:
+    - A class for the coupled cluster method with a full treatment singles and doubles.@en
+  CCSD--T:
+    class_uri: gc:CCSD--T
+    is_a: CCThirdOrderPerturbative
+    comments:
+    - A class for the coupled cluster method with a full treatment singles, doubles
+      and approximate treatment of triple excitations.@en
+  CCSD-T:
+    class_uri: gc:CCSD-T
+    is_a: CCThirdOrderPerturbative
+    comments:
+    - A class for the coupled cluster method with a full treatment singles and doubles
+      and approximate treatment of triple excitations.@en
+  CCSDT:
+    class_uri: gc:CCSDT
+    is_a: CCThirdOrderSelfConsistent
+    comments:
+    - A class for the coupled cluster method with a full treatment singles, doubles,
+      and triples.@en
+  CCSDT-1A:
+    class_uri: gc:CCSDT-1A
+    is_a: CCThirdOrderSelfConsistent
+    comments:
+    - A class for the coupled cluster method with a full treatment singles, doubles
+      and approximate treatment of triple excitations.@en
+  CCSDT-1B:
+    class_uri: gc:CCSDT-1B
+    is_a: CCThirdOrderSelfConsistent
+    comments:
+    - A class for the coupled cluster method with a full treatment singles, doubles
+      and approximate treatment of triple excitations.@en
+  CCSecondOrder:
+    class_uri: gc:CCSecondOrder
+    is_a: CC
+    comments:
+    - A class for the second-order coupled cluster method.@en
+  CCThirdOrder:
+    class_uri: gc:CCThirdOrder
+    is_a: CC
+    comments:
+    - A class for the third-order coupled cluster method.@en
+  CCThirdOrderPerturbative:
+    class_uri: gc:CCThirdOrderPerturbative
+    is_a: CCThirdOrder
+    comments:
+    - A class for the third-order perturbative coupled cluster method.@en
+  CCThirdOrderSelfConsistent:
+    class_uri: gc:CCThirdOrderSelfConsistent
+    is_a: CCThirdOrder
+    comments:
+    - A class for the third-order self-consistent coupled cluster method.@en
+  CCTripleZeta:
+    class_uri: gc:CCTripleZeta
+    is_a: CorrelationConsistentBasisSet
+    comments:
+    - A class for the CCTZ Correlation Consistent Triple Zeta basis sets.@en
+  CI:
+    class_uri: gc:CI
+    is_a: MultipleDeterminant
+    comments:
+    - A class for the configuration interaction (CI) method.@en
+  CIS:
+    class_uri: gc:CIS
+    is_a: CI
+    comments:
+    - A class for the configuration interaction (CI) method with single substitutions.@en
+  CISD:
+    class_uri: gc:CISD
+    is_a: CI
+    comments:
+    - A class for the configuration interaction (CI) method with single and double
+      substitutions.@en
+  CPMolecularDynamics:
+    class_uri: gc:CPMolecularDynamics
+    is_a: MolecularDynamics
+    comments:
+    - A class for the Car-Parinello type of molecular dynamics computations on molecular
+      systems.@en
+  CSXVersion:
+    class_uri: gc:CSXVersion
+    is_a: GainesvilleCoreTerm
+    comments:
+    - CSXVersion class.@en
+  CalculatedAtomAtomProperties:
+    class_uri: gc:CalculatedAtomAtomProperties
+    is_a: CalculatedProperties
+    comments:
+    - A class for the properties of the intersection of two atoms calculated in the
+      course of computational chemistry procedure, such as spin-spin coupling@en
+  CalculatedAtomCharge:
+    class_uri: gc:CalculatedAtomCharge
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for CalculatedAtomCharge.@en
+  CalculatedAtomProperties:
+    class_uri: gc:CalculatedAtomProperties
+    slots:
+    - hasMullikenCharges
+    is_a: CalculatedProperties
+    comments:
+    - A class for the properties of an atom calculated in the course of computational
+      chemistry procedure.@en
+  CalculatedMoleculeProperties:
+    class_uri: gc:CalculatedMoleculeProperties
+    is_a: CalculatedProperties
+    comments:
+    - A class for the properties of a molecule calculated in the course of computational
+      chemistry procedure.@en
+  CalculatedProperties:
+    class_uri: gc:CalculatedProperties
+    slots:
+    - hasNmrShieldingAnisotropy
+    - hasNmrShieldingIsotropic
+    - hasRMSGradient
+    is_a: CalculationResult
+    comments:
+    - A class for the properties of calculated in the course of computational chemistry
+      procedure.@en
+  CalculatedProperty:
+    class_uri: gc:CalculatedProperty
+    slots:
+    - hasSystemProperty
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for CalculatedProperty.@en
+  CalculatedSystemProperties:
+    class_uri: gc:CalculatedSystemProperties
+    slots:
+    - hasDipoleMoment
+    - hasDipoleMomentAverage
+    - hasDipoleMomentX
+    - hasDipoleMomentY
+    - hasDipoleMomentZ
+    is_a: CalculatedProperties
+    comments:
+    - A class for the properties of molecular system calculated in the course of computational
+      chemistry procedure.@en
+  CalculationConcept:
+    class_uri: gc:CalculationConcept
+    comments:
+    - A class for generic concepts that describe calculations in computational chemistry.@en
+  CalculationResult:
+    class_uri: gc:CalculationResult
+    is_a: CalculationConcept
+    comments:
+    - A class for specific concepts related to the results of computational chemistry
+      procedures.@en
+  ChemicalShift:
+    class_uri: gc:ChemicalShift
+    is_a: CalculatedAtomProperties
+    comments:
+    - '@en'
+    - A class for NMR chemical shifts.@en
+  ComputationalChemistryPublication:
+    class_uri: gc:ComputationalChemistryPublication
+    slots:
+    - hasFile
+    - hasMathML
+    - hasMathMLEquation
+    - hasPublisher
+    - hasSource
+    - hasSourcePackage
+    - hasCategory
+    - hasInputFile
+    - hasKey
+    - hasStatus
+    - hasTag
+    - hasVisibility
+    is_a: Publication
+    mixins:
+    - GainesvilleCoreTerm
+    comments:
+    - A class for ComputationalChemistryPublication.@en
+    - A class for publication of the results of the computional chemistry programs.@en
+  CoreEnergy:
+    class_uri: gc:CoreEnergy
+    is_a: SystemEnergies
+    comments:
+    - A class for the classical energy of the core (possibly nucleus-nucleus repulsion)
+      energy in the Born-Oppenheimer approx. of Schroedinger equation. The Core Energy
+      plus the Electronic Energy constitute the TotalBOPotentialEnergy.@en
+  CorrelationConsistentBasisSet:
+    class_uri: gc:CorrelationConsistentBasisSet
+    is_a: BasisSet
+    comments:
+    - A class for the Correlation Consistent basis sets.@en
+  CorrelationFunctional:
+    class_uri: gc:CorrelationFunctional
+    is_a: DensityFunctional
+    comments:
+    - A class for correlation functionals in Density Functional Theories.@en
+  CorrespondingAuthor:
+    class_uri: gc:CorrespondingAuthor
+    is_a: Author
+    comments:
+    - A class for principal author of this publication.@en
+  DZ:
+    class_uri: gc:DZ
+    is_a: DunningBasisSet
+    comments:
+    - A class for the Dunning DZ double zeta basis set.@en
+  DativeBond:
+    class_uri: gc:DativeBond
+    is_a: Bond
+    comments:
+    - A class for dative covalent bond.@en
+  DensityFunctional:
+    class_uri: gc:DensityFunctional
+    is_a: MethodologyFeature
+    comments:
+    - A class for all density functionals in Density Functional Theories.@en
+  Dft:
+    class_uri: gc:Dft
+    is_a: SingleDeterminant
+    comments:
+    - A class for methods from the family of Density Functional Theories.@en
+  DftFlavor:
+    class_uri: gc:DftFlavor
+    is_a: MethodologyFeature
+    comments:
+    - A class for specific approximations to exchange-correlation functionals in the
+      Density Functional Theory.@en
+  DftFunctional:
+    class_uri: gc:DftFunctional
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for DFT Functional.@en
+  DiffusePopleBasisSet:
+    class_uri: gc:DiffusePopleBasisSet
+    is_a: PopleBasisSet
+    comments:
+    - A class for the Pople basis sets with diffuse functions.@en
+  DipoleMoment:
+    class_uri: gc:DipoleMoment
+    is_a: CalculatedSystemProperties
+    comments:
+    - '@en'
+    - A class for molecular dipole moment.@en
+  DipoleMomentAverage:
+    class_uri: gc:DipoleMomentAverage
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Dipole Moment Average.@en
+  DipoleMomentX:
+    class_uri: gc:DipoleMomentX
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Dipole Moment X coordinate.@en
+  DipoleMomentY:
+    class_uri: gc:DipoleMomentY
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Dipole Moment Y coordinate.@en
+  DipoleMomentZ:
+    class_uri: gc:DipoleMomentZ
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Dipole Moment Z coordinate.@en
+  DispersionCorrection:
+    class_uri: gc:DispersionCorrection
+    is_a: MethodologyFeature
+    comments:
+    - A class for the dispersion correction in the Density Functional Theory.@en
+  Double:
+    class_uri: gc:Double
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - NormalBond
+    comments:
+    - A class for Double.@en
+    - A class for double covalent bonds.@en
+  DunningBasisSet:
+    class_uri: gc:DunningBasisSet
+    is_a: BasisSet
+    comments:
+    - A class for the older Dunning basis sets.@en
+  Electronic:
+    class_uri: gc:Electronic
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Electronic.@en
+  ElectronicEnergy:
+    class_uri: gc:ElectronicEnergy
+    is_a: SystemEnergies
+    comments:
+    - A class for the total energy of electrons in the Born-Oppenheimer approx of
+      Schroedinger equation.@en
+  ElectronicSpectra:
+    class_uri: gc:ElectronicSpectra
+    slots:
+    - hasElectronicTransitions
+    - hasExcitedStateMethod
+    - hasFrequencyPeak
+    - hasOccupiedOrbitalsIncluded
+    - hasOscillatorStrength
+    - hasTransitionCount
+    - hasUnoccupiedOrbitalsIncluded
+    - hasPeakCount
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - Spectra
+    comments:
+    - A class for ElectronicSpectra.@en
+    - A class for spectra resulting from the molecular electronic transitions.@en
+  ElectronicTransitions:
+    class_uri: gc:ElectronicTransitions
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for ElectronicTransitions.@en
+  ExchangeFunctional:
+    class_uri: gc:ExchangeFunctional
+    is_a: DensityFunctional
+    comments:
+    - A class for exchange functionals in Density Functional Theories.@en
+  ExcitedStates:
+    class_uri: gc:ExcitedStates
+    is_a: MolecularComputation
+    comments:
+    - A class for the computations of the excited states of molecules.@en
+  ExperimentalChemistryPublication:
+    class_uri: gc:ExperimentalChemistryPublication
+    is_a: Publication
+    comments:
+    - A class for publication of the results of an experimental measurement.@en
+  FCI:
+    class_uri: gc:FCI
+    is_a: CI
+    comments:
+    - A class for the full configuration interaction (CI) method.@en
+  FloatValue:
+    class_uri: gc:FloatValue
+    slots:
+    - hasFloatValue
+    is_a: Value
+    comments:
+    - A class for float value, containing value and unit.@en
+  ForceField:
+    class_uri: gc:ForceField
+    is_a: MethodologyFeature
+    comments:
+    - A class for the classical mechanical methods based on the concept of the Force
+      Field.@en
+  FormalAtomCharge:
+    class_uri: gc:FormalAtomCharge
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for FormalAtomCharge.@en
+  Frequency:
+    class_uri: gc:Frequency
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Frequency.@en
+  FrequencyPeak:
+    class_uri: gc:FrequencyPeak
+    slots:
+    - hasFrequency
+    - hasIntensity
+    - hasNormalMode
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - SpectralFeatures
+    comments:
+    - A class for FrequencyPeak.@en
+    - A class representing frequency peak of the spectrum.@en
+  G1:
+    class_uri: gc:G1
+    is_a: Gaussian-n
+    comments:
+    - A version of Gaussian-n composite calculations.@en
+  G2:
+    class_uri: gc:G2
+    is_a: Gaussian-n
+    comments:
+    - A version of Gaussian-n composite calculations.@en
+  G3:
+    class_uri: gc:G3
+    is_a: Gaussian-n
+    comments:
+    - A version of Gaussian-n composite calculations.@en
+  G4:
+    class_uri: gc:G4
+    is_a: Gaussian-n
+    comments:
+    - A version of Gaussian-n composite calculations.@en
+  GVB:
+    class_uri: gc:GVB
+    is_a: MultipleReferenceState
+    comments:
+    - A class for the Complete Generalized Valence Bond Method (CASSCF) method.@en
+  GainesvilleCoreTerm:
+    class_uri: gc:GainesvilleCoreTerm
+  Gaussian-n:
+    class_uri: gc:Gaussian-n
+    is_a: MultipleDeterminant
+    comments:
+    - A collection of composite calculations (mainly quadratic CI plus others) that
+      try to approximate full CI.@en
+  GeneralizedDFTFunctional:
+    class_uri: gc:GeneralizedDFTFunctional
+    is_a: DensityFunctional
+    comments:
+    - A class for the generalized (e.g. Hybrid) density functionals in the Density
+      Functional Theory.@en
+  GeneralizedGradientApprox-GGA:
+    class_uri: gc:GeneralizedGradientApprox-GGA
+    is_a: GeneralizedDFTFunctional
+    comments:
+    - A class for GGA approximations of density functionals.@en
+  GeometryOptimization:
+    class_uri: gc:GeometryOptimization
+    is_a: MolecularComputation
+    comments:
+    - A class for calculations in computational chemistry that aim to find molecular
+      geometry of lowest energy.@en
+  Gill96:
+    class_uri: gc:Gill96
+    is_a: ExchangeFunctional
+    comments:
+    - Gill 1996 exchange functional.@en
+  GrB97:
+    class_uri: gc:GrB97
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Grimme's parameterization of Becke 1997 functional.@en
+  Gradient:
+    class_uri: gc:Gradient
+    is_a: CalculatedSystemProperties
+    comments:
+    - '@en'
+    - A class for energy gradient of molecular system.@en
+  Group:
+    class_uri: gc:Group
+    is_a: MolecularStructureObject
+    mixins:
+    - GainesvilleCoreTerm
+    - BFO_0000027
+    comments:
+    - A class for Group.@en
+    - A class for generic collection of atoms in molecules and residues@en
+  GroupProperty:
+    class_uri: gc:GroupProperty
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for GroupProperty.@en
+  HCTH120:
+    class_uri: gc:HCTH120
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Hamprecht-Cohen-Tozer-Handy GGA functional for 120 cases.@en
+  HCTH147:
+    class_uri: gc:HCTH147
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Hamprecht-Cohen-Tozer-Handy GGA functional for 147 cases.@en
+  HCTH407:
+    class_uri: gc:HCTH407
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Hamprecht-Cohen-Tozer-Handy GGA functional for 407 cases.@en
+  HCTH93:
+    class_uri: gc:HCTH93
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Hamprecht-Cohen-Tozer-Handy 1993 GGA functional.@en
+  Hybrids:
+    class_uri: gc:Hybrids
+    is_a: GeneralizedDFTFunctional
+    comments:
+    - A class for Hybrid approximations of density functionals.@en
+  HydrogenBond:
+    class_uri: gc:HydrogenBond
+    is_a: Bond
+    comments:
+    - A class for hydrogen bond - the electrostatic interaction between polar molecules
+      (strong dipole-dipole attraction).@en
+  IRDataPoint:
+    class_uri: gc:IRDataPoint
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for IRDataPoint.@en
+  InfraRedSpectra:
+    class_uri: gc:InfraRedSpectra
+    is_a: VibrationalSpectra
+    comments:
+    - A class for vibrational spectra resulting from IR intensities.@en
+  InfraRedSpectrum:
+    class_uri: gc:InfraRedSpectrum
+    slots:
+    - xAxis
+    - yAxis
+    - yAxisUnit
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for InfraRed Spectrum.@en
+  InfraredSpectrum:
+    class_uri: gc:InfraredSpectrum
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for InfraredSpectrum.@en
+  IntegerValue:
+    class_uri: gc:IntegerValue
+    slots:
+    - hasIntegerValue
+    is_a: Value
+    comments:
+    - A class that represents integer value, containing value and unit.@en
+  Intensity:
+    class_uri: gc:Intensity
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Intensity.@en
+  InterMolecularPT:
+    class_uri: gc:InterMolecularPT
+    is_a: MBPerturbationTheory
+    comments:
+    - A class for perturbation theory method applied to the intermolecular interactions
+      of quantum chemistry.@en
+  LYP:
+    class_uri: gc:LYP
+    is_a: CorrelationFunctional
+    comments:
+    - Lee-Yang-Parr correlation functional@en
+  LocalDensityApprox-LDA:
+    class_uri: gc:LocalDensityApprox-LDA
+    is_a: GeneralizedDFTFunctional
+    comments:
+    - A class for LDA approximations of density functionals.@en
+  M05:
+    class_uri: gc:M05
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Functional 2005.@en
+  M05-2X:
+    class_uri: gc:M05-2X
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 5.@en
+  M06:
+    class_uri: gc:M06
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Functional 2006.@en
+  M06-HF:
+    class_uri: gc:M06-HF
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 2006.@en
+  M06-L:
+    class_uri: gc:M06-L
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 6.@en
+  M06-X:
+    class_uri: gc:M06-X
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 6.@en
+  M08-HX:
+    class_uri: gc:M08-HX
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 2008.@en
+  M08-SO:
+    class_uri: gc:M08-SO
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 2008.@en
+  M11:
+    class_uri: gc:M11
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 2011.@en
+  M11-L:
+    class_uri: gc:M11-L
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 11.@en
+    - Minnesota (Truhlar) Version of Functional 2011.@en
+  M11-SO:
+    class_uri: gc:M11-SO
+    is_a: Meta-GGA
+    comments:
+    - Minnesota (Truhlar) Version of Functional 2011.@en
+  MBPerturbationTheory:
+    class_uri: gc:MBPerturbationTheory
+    is_a: SingleDeterminant
+    comments:
+    - A class for the perturbation of single determinant wave functions such as MP2,
+      etc.@en
+  MCSCF:
+    class_uri: gc:MCSCF
+    is_a: MultipleReferenceState
+    comments:
+    - A class for the multi-configurational self-consistent field (MCSCF) method.@en
+  MN12-L:
+    class_uri: gc:MN12-L
+    is_a: Meta-GGA
+    comments:
+    - Minnesota Nonseparable (Truhlar) Version of Functional 12.@en
+  MN12-SX:
+    class_uri: gc:MN12-SX
+    is_a: Meta-GGA
+    comments:
+    - Minnesota Nonseparable (Truhlar) Version of Functional 12.@en
+  MRCC:
+    class_uri: gc:MRCC
+    is_a: MultipleReferenceState
+    comments:
+    - A class for a Multi-reference coupled cluster calculation.@en
+  MRCI:
+    class_uri: gc:MRCI
+    is_a: MultipleReferenceState
+    comments:
+    - A class for a Multi-reference configuration interaction calculation.@en
+  Meta-GGA:
+    class_uri: gc:Meta-GGA
+    is_a: GeneralizedDFTFunctional
+    comments:
+    - A class for Meta-GGA approximations of density functionals.@en
+  Methodology:
+    class_uri: gc:Methodology
+    is_a: MethodologyFeature
+    comments:
+    - A class for the specific methodology used to conduct computational chemistry
+      calculations.@en
+  MethodologyFeature:
+    class_uri: gc:MethodologyFeature
+    is_a: CalculationConcept
+    comments:
+    - A class for specific features or properties of a given methodology.@en
+  MinimalPopleBasisSet:
+    class_uri: gc:MinimalPopleBasisSet
+    is_a: PopleBasisSet
+    comments:
+    - A class for the Pople minimal basis sets.@en
+  MolecularCalculation:
+    class_uri: gc:MolecularCalculation
+    slots:
+    - hasMolecularSystem
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Molecular Calculation.@en
+  MolecularComputation:
+    class_uri: gc:MolecularComputation
+    slots:
+    - hasResult
+    is_a: CalculationConcept
+    mixins:
+    - GainesvilleCoreTerm
+    comments:
+    - A class for MolecularComputation.@en
+    - A class for the specific type of calculation (like optimization, single point,
+      etc) conducted by a computational chemistry program.@en
+  MolecularConcept:
+    class_uri: gc:MolecularConcept
+    comments:
+    - A generic class of various concepts related to molecular systems.@en
+  MolecularDynamics:
+    class_uri: gc:MolecularDynamics
+    is_a: MolecularComputation
+    comments:
+    - A class for the molecular dynamics computations on molecular systems.@en
+  MolecularMechanics:
+    class_uri: gc:MolecularMechanics
+    slots:
+    - hasForceField
+    - hasParameterSet
+    is_a: MolecularMethodology
+    comments:
+    - A class for the classical methodologies of computational chemistry.@en
+  MolecularMethodology:
+    class_uri: gc:MolecularMethodology
+    slots:
+    - hasBasisSet
+    - hasCorrelationFunctional
+    - hasDftFlavor
+    - hasDftFunctional
+    - hasDispersionCorrection
+    - hasExchangeFunctional
+    - hasFeature
+    - hasForceField
+    - hasMethodology
+    - hasNumberBasisFunc
+    - hasParameterSet
+    - hasSpinType
+    is_a: CalculationConcept
+    mixins:
+    - GainesvilleCoreTerm
+    comments:
+    - A class for MolecularMethodology.@en
+    - A class for general methodologies of computational chemistry.@en
+  MolecularStructureObject:
+    class_uri: gc:MolecularStructureObject
+    is_a: MolecularConcept
+    comments:
+    - A class that represents objects of molecular structure (atoms, molecules etc).@en
+  MolecularSystem:
+    class_uri: gc:MolecularSystem
+    slots:
+    - hasCalculationOn
+    - hasIRSpectrum
+    - hasMass
+    - hasMolecularComputation
+    - hasMultipleReferenceState
+    - hasSystemCharge
+    - hasSystemMultiplicity
+    - hasSystemTemperature
+    - hasAtomCount
+    is_a: MolecularStructureObject
+    mixins:
+    - GainesvilleCoreTerm
+    comments:
+    - A class for MolecularSystem.@en
+    - A class for objects related to molecular systems.@en
+  Molecule:
+    class_uri: gc:Molecule
+    slots:
+    - hasAtom
+    - hasMass
+    - hasResidue
+    - hasAtomCount
+    - hasBondCount
+    - hasInChIKey
+    - hasInChIString
+    is_a: MolecularStructureObject
+    mixins:
+    - BFO_0000030
+    - GainesvilleCoreTerm
+    comments:
+    - A class for Molecule.@en
+    - A class for molecule - electrically neutral group (or polyatomic ion) of two
+      or more atoms held together by chemical bonds.@en
+  MoleculeProperty:
+    class_uri: gc:MoleculeProperty
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for MoleculeProperty.@en
+  MollerPlesset:
+    class_uri: gc:MollerPlesset
+    is_a: SupraMolecularPT
+    comments:
+    - "A class for M\xF8ller\u2013Plesset perturbation theory method of quantum chemistry.@en"
+  MonteCarlo:
+    class_uri: gc:MonteCarlo
+    is_a: MolecularComputation
+    comments:
+    - A class for the Monte Carlo computations on molecular systems.@en
+  Mp2:
+    class_uri: gc:Mp2
+    is_a: MollerPlesset
+    comments:
+    - "A class for the second order M\xF8ller\u2013Plesset perturbation theory method\
+      \ of quantum chemistry.@en"
+  Mp3:
+    class_uri: gc:Mp3
+    is_a: MollerPlesset
+    comments:
+    - "A class for the third order M\xF8ller\u2013Plesset perturbation theory method\
+      \ of quantum chemistry.@en"
+  Mp4:
+    class_uri: gc:Mp4
+    is_a: MollerPlesset
+    comments:
+    - "A class for the fourth order M\xF8ller\u2013Plesset perturbation theory method\
+      \ of quantum chemistry.@en"
+  MullikenCharge:
+    class_uri: gc:MullikenCharge
+    is_a: CalculatedAtomProperties
+    comments:
+    - '@en'
+    - A class for Mulliken atom charges.@en
+  MullikenCharges:
+    class_uri: gc:MullikenCharges
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Mulliken Charges.@en
+  MultipleDeterminant:
+    class_uri: gc:MultipleDeterminant
+    is_a: SingleReferenceState
+    comments:
+    - A class for the methods of quantum chemistry using multiple Slater determinants.@en
+  MultipleReferenceState:
+    class_uri: gc:MultipleReferenceState
+    is_a: QuantumMechanics
+    comments:
+    - A class representing methods of quantum chemistry using multiple reference state
+      determinants.@en
+  Multiscale:
+    class_uri: gc:Multiscale
+    is_a: MolecularMethodology
+    comments:
+    - A class for methods of computational chemistry combining different methodologies
+      (e.g. quantum and classical) for large molecular systems.@en
+  NMRSpectra:
+    class_uri: gc:NMRSpectra
+    slots:
+    - hasFrequencyPeak
+    - hasPeakCount
+    is_a: Spectra
+    comments:
+    - A class for nuclear magentic resonance spectra.@en
+  NaturalValue:
+    class_uri: gc:NaturalValue
+    slots:
+    - hasNaturalValue
+    is_a: Value
+    comments:
+    - A class for natural values, containing value and unit.@en
+  NmrShieldingAnisotropy:
+    class_uri: gc:NmrShieldingAnisotropy
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for NMR Shielding Anisotropy.@en
+  NmrShieldingIsotropic:
+    class_uri: gc:NmrShieldingIsotropic
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for NMR Shielding Isotropic.@en
+  NormalBond:
+    class_uri: gc:NormalBond
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - Bond
+    comments:
+    - A class for NormalBond.@en
+    - A class for covalent bond in molecules.@en
+  NormalMode:
+    class_uri: gc:NormalMode
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for NormalMode.@en
+  NuclearRepulsion:
+    class_uri: gc:NuclearRepulsion
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for NuclearRepulsion.@en
+  NucleicAcidResidue:
+    class_uri: gc:NucleicAcidResidue
+    is_a: Residue
+    comments:
+    - A particular class for residues - monomers of RNA, DNA, etc.@en
+  NumberBasisFunc:
+    class_uri: gc:NumberBasisFunc
+    is_a: MethodologyFeature
+    comments:
+    - A class representing the number of basis set functions used in calculations.@en
+  OPTX:
+    class_uri: gc:OPTX
+    is_a: ExchangeFunctional
+    comments:
+    - Handy-Cohen exchange functional@en
+  Orbital:
+    class_uri: gc:Orbital
+    slots:
+    - hasOccupancy
+    - hasOrbitalEnergy
+    - hasOrbitalSymmetry
+    - hasWaveFunctionCoefficients
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - WaveFunction
+    comments:
+    - A class for Orbital.@en
+    - A class for molecular orbital (MO) - a mathematical function describing an electron
+      in a molecule.@en
+  OrbitalEnergy:
+    class_uri: gc:OrbitalEnergy
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for OrbitalEnergy.@en
+  OrbitalOccupancy:
+    class_uri: gc:OrbitalOccupancy
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for OrbitalOccupancy.@en
+  OrbitalSymmetry:
+    class_uri: gc:OrbitalSymmetry
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for OrbitalSymmetry.@en
+  OscillatorStrength:
+    class_uri: gc:OscillatorStrength
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for OscillatorStrength.@en
+  OtherResidue:
+    class_uri: gc:OtherResidue
+    is_a: Residue
+    comments:
+    - A particular class for residue - monomers of some sort - example polymer.@en
+  PBE:
+    class_uri: gc:PBE
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Perdew-Burke-Ernzerhof functional.@en
+  PBE0:
+    class_uri: gc:PBE0
+    is_a: Hybrids
+    comments:
+    - Perdew-Burke-Ernzerhof hybrid functional.@en
+  PBE96C:
+    class_uri: gc:PBE96C
+    is_a: CorrelationFunctional
+    comments:
+    - Perdew-Burke-Ernzerhof 1996 correlation functional@en
+  PBE96X:
+    class_uri: gc:PBE96X
+    is_a: ExchangeFunctional
+    comments:
+    - Perdew-Burke-Ernzerhof 1996 exchange functional.@en
+  PW:
+    class_uri: gc:PW
+    is_a: LocalDensityApprox-LDA
+    comments:
+    - Perdew-Wang functional.@en
+  PW91:
+    class_uri: gc:PW91
+    is_a: GeneralizedGradientApprox-GGA
+    comments:
+    - Perdew-Wang 1991 functional.@en
+  PW91C:
+    class_uri: gc:PW91C
+    is_a: CorrelationFunctional
+    comments:
+    - Perdew-Wang 1991 correlation functional@en
+  PW91X:
+    class_uri: gc:PW91X
+    is_a: ExchangeFunctional
+    comments:
+    - Perdew-Wang 1991 exchange functional.@en
+  PZ:
+    class_uri: gc:PZ
+    is_a: LocalDensityApprox-LDA
+    comments:
+    - Perdew-Zunger functional.@en
+  PZ81:
+    class_uri: gc:PZ81
+    is_a: CorrelationFunctional
+    comments:
+    - Perdew-Zunger 1981 correlation functional@en
+  ParameterSet:
+    class_uri: gc:ParameterSet
+    is_a: MethodologyFeature
+    comments:
+    - A class representing a specific set of parameters used by the Force Field calculations
+      (Molecular Mechanics).@en
+  PeptideResidue:
+    class_uri: gc:PeptideResidue
+    is_a: Residue
+    comments:
+    - A particular class for residues - monomers of polypeptide and protein@en
+  Perdew86:
+    class_uri: gc:Perdew86
+    is_a: CorrelationFunctional
+    comments:
+    - Perdew 1996 correlation functional@en
+  PolarizedPopleBasisSet:
+    class_uri: gc:PolarizedPopleBasisSet
+    is_a: PopleBasisSet
+    comments:
+    - A class for the Pople basis sets with polarization functions.@en
+  PopleBasisSet:
+    class_uri: gc:PopleBasisSet
+    is_a: BasisSet
+    comments:
+    - A class for the Pople basis sets.@en
+  Publication:
+    class_uri: gc:Publication
+    slots:
+    - hasAuthor
+    is_a: PublicationConcept
+    comments:
+    - A generic class for objects related to the publication of results of computational
+      chemistry calculations.@en
+  PublicationConcept:
+    class_uri: gc:PublicationConcept
+    comments:
+    - A generic class representing concepts related to publications.@en
+  QCISD:
+    class_uri: gc:QCISD
+    is_a: QuadraticCI
+    comments:
+    - A class for the quadratic configuration interaction (QCI) method with single
+      and double substitutions.@en
+  QCISD-T:
+    class_uri: gc:QCISD-T
+    is_a: QuadraticCI
+    comments:
+    - A class for the quadratic configuration interaction (QCI) method with single,
+      double, and approximate triple substitutions.@en
+  QuadraticCI:
+    class_uri: gc:QuadraticCI
+    is_a: MultipleDeterminant
+    comments:
+    - A class for the quadratic configuration interaction (QCI) method.@en
+  Quadruple:
+    class_uri: gc:Quadruple
+    is_a: NormalBond
+    comments:
+    - ??? !!!@en
+  QuantumMechanics:
+    class_uri: gc:QuantumMechanics
+    slots:
+    - hasSingleDeterminantType
+    - hasSingleReferenceState
+    - hasSingleReferenceStateType
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - MolecularMethodology
+    comments:
+    - A class for Quantum Mechanical methods.@en
+    - A class for QuantumMechanics.@en
+  RASPT2:
+    class_uri: gc:RASPT2
+    is_a: MCSCF
+    comments:
+    - A class for the restricted active space perturbation theory methods.@en
+  RASSCF:
+    class_uri: gc:RASSCF
+    is_a: MCSCF
+    comments:
+    - A class for the Restricted Active Space Multiconfiguration SCF (RASSCF) method.@en
+  RHF:
+    class_uri: gc:RHF
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for RHF.@en
+    - Restricted Hartree-Fock method.@en
+  RamanSpectra:
+    class_uri: gc:RamanSpectra
+    is_a: VibrationalSpectra
+    comments:
+    - A class for vibrational spectra resulting from Raman intensities.@en
+  RayleighSchroedinger:
+    class_uri: gc:RayleighSchroedinger
+    is_a: SupraMolecularPT
+    comments:
+    - "A class for M\xF8ller\u2013Plesset perturbation theory method of quantum chemistry.@en"
+  Reference:
+    class_uri: gc:Reference
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for a reference.@en
+  Residue:
+    class_uri: gc:Residue
+    slots:
+    - hasAtom
+    - hasAtomCount
+    - hasBondCount
+    - hasChainNumber
+    - hasInsertion
+    - hasSecondaryStructure
+    is_a: MolecularStructureObject
+    mixins:
+    - BFO_0000030
+    - GainesvilleCoreTerm
+    comments:
+    - A class for Residue.@en
+    - A class for residues - monomers of polysaccharide, protein, nucleic acid or
+      polymer@en
+  ResidueProperty:
+    class_uri: gc:ResidueProperty
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for ResidueProperty.@en
+  RmsGradient:
+    class_uri: gc:RmsGradient
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for Rms Gradient.@en
+  SAPT:
+    class_uri: gc:SAPT
+    is_a: InterMolecularPT
+    comments:
+    - A class for the symmetry-adapted perturbation theory for intermolecular interactions.@en
+  SAPT0:
+    class_uri: gc:SAPT0
+    is_a: SAPT
+    comments:
+    - A class for a sub-class of symmetry-adapted perturbation theory for intermolecular
+      interactions.@en
+  SAPT2:
+    class_uri: gc:SAPT2
+    is_a: SAPT
+    comments:
+    - A class for a sub-class of symmetry-adapted perturbation theory for intermolecular
+      interactions.@en
+  SAPT2p:
+    class_uri: gc:SAPT2p
+    is_a: SAPT
+    comments:
+    - A class for a sub-class of symmetry-adapted perturbation theory for intermolecular
+      interactions.@en
+  SAPT2p3:
+    class_uri: gc:SAPT2p3
+    is_a: SAPT
+    comments:
+    - A class for a sub-class of symmetry-adapted perturbation theory for intermolecular
+      interactions.@en
+  SAPT2p_3_:
+    class_uri: gc:SAPT2p_3_
+    is_a: SAPT
+    comments:
+    - A class for a sub-class of symmetry-adapted perturbation theory for intermolecular
+      interactions.@en
+  STO-2G:
+    class_uri: gc:STO-2G
+    is_a: MinimalPopleBasisSet
+    comments:
+    - A class for the Pople minimal STO-2G basis set.@en
+  STO-3G:
+    class_uri: gc:STO-3G
+    is_a: MinimalPopleBasisSet
+    comments:
+    - A class for the Pople minimal STO-3G basis set.@en
+  STO-3GS:
+    class_uri: gc:STO-3GS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - MinimalPopleBasisSet
+    comments:
+    - A class for the Pople minimal STO-3G basis set with polarization functions.@en
+  STO-4G:
+    class_uri: gc:STO-4G
+    is_a: MinimalPopleBasisSet
+    comments:
+    - A class for the Pople minimal STO-4G basis set.@en
+  STO-5G:
+    class_uri: gc:STO-5G
+    is_a: MinimalPopleBasisSet
+    comments:
+    - A class for the Pople minimal STO-5G basis set.@en
+  STO-6G:
+    class_uri: gc:STO-6G
+    is_a: MinimalPopleBasisSet
+    comments:
+    - A class for the Pople minimal STO-6G basis set.@en
+  SemiEmpiricalScf:
+    class_uri: gc:SemiEmpiricalScf
+    is_a: SingleDeterminant
+    comments:
+    - A class for SemiEmpirical Methods of Quantum Chemistry@en
+  Single:
+    class_uri: gc:Single
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - NormalBond
+    comments:
+    - A class for Single.@en
+    - A class for single covalent bonds.@en
+  SingleDeterminant:
+    class_uri: gc:SingleDeterminant
+    is_a: SingleReferenceState
+    comments:
+    - A class for Single Determinant methods of Quantum Chemistry.@en
+  SinglePoint:
+    class_uri: gc:SinglePoint
+    is_a: MolecularComputation
+    comments:
+    - A class for Single Point calculations - computation of the energy of molecular
+      system for given geometry.@en
+  SingleReferenceState:
+    class_uri: gc:SingleReferenceState
+    is_a: QuantumMechanics
+    comments:
+    - A class for Single Reference (SR) coupled-cluster methods.@en
+  Slater:
+    class_uri: gc:Slater
+    is_a: ExchangeFunctional
+    comments:
+    - Slater exchange functional.@en
+  SourcePackage:
+    class_uri: gc:SourcePackage
+    slots:
+    - hasInput
+    - hasOutput
+    - hasVersion
+    is_a: PublicationConcept
+    mixins:
+    - GainesvilleCoreTerm
+    comments:
+    - A class for SourcePackage.@en
+    - A class for quantum chemistry packages used to peform computations.@en
+  Spectra:
+    class_uri: gc:Spectra
+    is_a: CalculationResult
+    comments:
+    - A class for general spectra.@en
+  SpectralFeatures:
+    class_uri: gc:SpectralFeatures
+    is_a: CalculationResult
+    comments:
+    - A class for general spectra.@en
+  SpinSpinCouplingConstant:
+    class_uri: gc:SpinSpinCouplingConstant
+    is_a: CalculatedAtomAtomProperties
+    comments:
+    - '@en'
+    - A class for NMR coupling constants.@en
+  SpinType:
+    class_uri: gc:SpinType
+    is_a: MethodologyFeature
+    comments:
+    - A class for method for spin treatment in quantum chemical calculations (rhf,uhf,rohf).@en
+  SplitValencePopleBasisSet:
+    class_uri: gc:SplitValencePopleBasisSet
+    is_a: PopleBasisSet
+    comments:
+    - A class for the Pople split valence basis sets.@en
+  SubmittingAuthor:
+    class_uri: gc:SubmittingAuthor
+    is_a: Author
+    comments:
+    - A class for author submitting this publication.@en
+  SupraMolecularPT:
+    class_uri: gc:SupraMolecularPT
+    is_a: MBPerturbationTheory
+    comments:
+    - A class for perturbation theory method applied to whole molecular systems of
+      quantum chemistry.@en
+  SystemCharge:
+    class_uri: gc:SystemCharge
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for SystemCharge.@en
+  SystemEnergies:
+    class_uri: gc:SystemEnergies
+    slots:
+    - hasBindingEnergy
+    - hasCorrelationEnergy
+    - hasElectronicEnergy
+    - hasHeatOfFormation
+    - hasNuclearRepulsionEnergy
+    - hasTotalPotentialEnergy
+    is_a: CalculationResult
+    comments:
+    - A class for various types of energies associated with molecular system.@en
+  SystemMultiplicity:
+    class_uri: gc:SystemMultiplicity
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for SystemMultiplicity.@en
+  SystemProperty:
+    class_uri: gc:SystemProperty
+    slots:
+    - hasPropertyCount
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for systemProperty.@en
+  SystemTemperature:
+    class_uri: gc:SystemTemperature
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for SystemTemperature.@en
+  SystemWaveFunction:
+    class_uri: gc:SystemWaveFunction
+    is_a: WaveFunction
+    comments:
+    - An N-electron wave function describing the whole molecular system.@en
+  TPSS:
+    class_uri: gc:TPSS
+    is_a: Meta-GGA
+    comments:
+    - Tao-Perdew-Staroverov-Scuseria functional.@en
+  TPSSh:
+    class_uri: gc:TPSSh
+    is_a: Hybrids
+    comments:
+    - Tao-Perdew-Staroverov-Scuseria hybrid functional.@en
+  TZ:
+    class_uri: gc:TZ
+    is_a: DunningBasisSet
+    comments:
+    - A class for the Dunning TZ triple zeta basis set.@en
+  Tddft:
+    class_uri: gc:Tddft
+    is_a: SingleDeterminant
+    comments:
+    - A class for methods for excited states and response properties from the family
+      of Density Functional Theories.@en
+  TotalBOPotentialEnergy:
+    class_uri: gc:TotalBOPotentialEnergy
+    is_a: SystemEnergies
+    comments:
+    - A class for the Born-Oppenheimer Total Energy (Electronic plus Nuclear Repulsion)
+      (i.e. potential energy for subsequent MD and other statistical mechanics uses).@en
+  TotalPotential:
+    class_uri: gc:TotalPotential
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for TotalPotential.@en
+  Triple:
+    class_uri: gc:Triple
+    is_a: NormalBond
+    comments:
+    - A class for triple covalent bond.@en
+  UVVisSpectrum:
+    class_uri: gc:UVVisSpectrum
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for UVVis Spectrum.@en
+  VDZ:
+    class_uri: gc:VDZ
+    is_a: AhlrichsBasisSet
+    comments:
+    - A class for the ahlrichs VDZ double zeta basis set.@en
+  VTZ:
+    class_uri: gc:VTZ
+    is_a: AhlrichsBasisSet
+    comments:
+    - A class for the ahlrichs VDZ double zeta basis set.@en
+  VWN:
+    class_uri: gc:VWN
+    is_a: LocalDensityApprox-LDA
+    comments:
+    - Vosco-Wilks-Nusair functional.@en
+  VWN3:
+    class_uri: gc:VWN3
+    is_a: CorrelationFunctional
+    comments:
+    - Vosco-Wilks-Nusair Formula 3 correlation functional@en
+  VWN5:
+    class_uri: gc:VWN5
+    is_a: CorrelationFunctional
+    comments:
+    - Vosco-Wilks-Nusair Formula 5 correlation functional@en
+  Value:
+    class_uri: gc:Value
+    slots:
+    - hasUnit
+    - relatedEntity
+    - hasValue
+    is_a: AuxiliaryConcept
+    comments:
+    - This is super class for the expression of various types of values.@en
+  VectorValue:
+    class_uri: gc:VectorValue
+    slots:
+    - hasVectorValue
+    is_a: Value
+    comments:
+    - A class for vector type of data, containing value and unit.@en
+  VibrationalAnalysis:
+    class_uri: gc:VibrationalAnalysis
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - MolecularComputation
+    comments:
+    - A class for VibrationalAnalysis.@en
+    - A class for the computations of vibrational spectrum of molecules.@en
+  VibrationalSpectra:
+    class_uri: gc:VibrationalSpectra
+    slots:
+    - hasFrequencyPeak
+    - hasPeakCount
+    is_a: Spectra
+    comments:
+    - A class for spectra resulting from the molecular vibrations.@en
+  WaveFunction:
+    class_uri: gc:WaveFunction
+    slots:
+    - hasOrbital
+    is_a: GainesvilleCoreTerm
+    mixins:
+    - CalculationResult
+    comments:
+    - A class for WaveFunction.@en
+    - A class for the mathematical description of a quantum particle, in most practical
+      cases of the electron.@en
+  WaveFunctionCoefficient:
+    class_uri: gc:WaveFunctionCoefficient
+    is_a: GainesvilleCoreTerm
+    comments:
+    - A class for WaveFunctionCoefficient.@en
+  aug-cc-pV5Z:
+    class_uri: gc:aug-cc-pV5Z
+    is_a: CCQuintupleZeta
+    comments:
+    - A class for the aug-cc-pV5Z Correlation Consistent Quintuple Zeta basis set.@en
+  aug-cc-pVDZ:
+    class_uri: gc:aug-cc-pVDZ
+    is_a: CCDoubleZeta
+    comments:
+    - A class for the aug-cc-pVDZ Correlation Consistent Double Zeta basis set.@en
+  aug-cc-pVQZ:
+    class_uri: gc:aug-cc-pVQZ
+    is_a: CCQuadrupleZeta
+    comments:
+    - A class for the aug-cc-pVQZ Correlation Consistent Quadruple Zeta basis set.@en
+  aug-cc-pVTZ:
+    class_uri: gc:aug-cc-pVTZ
+    is_a: CCTripleZeta
+    comments:
+    - A class for the aug-cc-pVTZ Correlation Consistent Triple Zeta basis set.@en
+  aug-cc-pV_DPD_Z:
+    class_uri: gc:aug-cc-pV_DPD_Z
+    is_a: CCDoubleZeta
+    comments:
+    - A class for the aug-cc-pV(D+d)Z Correlation Consistent Double Zeta basis set.@en
+  cc-pV5Z:
+    class_uri: gc:cc-pV5Z
+    is_a: CCQuintupleZeta
+    comments:
+    - A class for the cc-pV5Z Correlation Consistent Quintuple Zeta basis set.@en
+  cc-pVDZ:
+    class_uri: gc:cc-pVDZ
+    is_a: CCDoubleZeta
+    comments:
+    - A class for the cc-pVDZ Correlation Consistent Double Zeta basis set.@en
+  cc-pVQZ:
+    class_uri: gc:cc-pVQZ
+    is_a: CCQuadrupleZeta
+    comments:
+    - A class for the cc-pVQZ Correlation Consistent Quadruple Zeta basis set.@en
+  cc-pVTZ:
+    class_uri: gc:cc-pVTZ
+    is_a: CCTripleZeta
+    comments:
+    - A class for the cc-pVTZ Correlation Consistent Triple Zeta basis set.@en
+  d-aug-cc-pVDZ:
+    class_uri: gc:d-aug-cc-pVDZ
+    is_a: CCDoubleZeta
+    comments:
+    - A class for the d-aug-cc-pVDZ Correlation Consistent Double Zeta basis set.@en
+  hasFloatValue:
+    class_uri: gc:hasFloatValue
+    comments:
+    - A property that describes floating point value.@en
+  jun-cc-pVDZ:
+    class_uri: gc:jun-cc-pVDZ
+    is_a: CCDoubleZeta
+    comments:
+    - A class for the jun-cc-pVDZ Correlation Consistent Double Zeta basis set.@en
+  3-21G:
+    class_uri: http://purl.org/gc/3-21G
+    is_a: SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 3-21G basis set.@en
+  3-21GS:
+    class_uri: http://purl.org/gc/3-21GS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople polarization split valence 3-21G* basis set.@en
+    - A class for the Pople split valence 3-21G* basis set.@en
+  3-21pG:
+    class_uri: http://purl.org/gc/3-21pG
+    is_a: SplitValencePopleBasisSet
+    mixins:
+    - DiffusePopleBasisSet
+    comments:
+    - A class for the Pople split valence 3-21+G basis set.@en
+  3-21pGS:
+    class_uri: http://purl.org/gc/3-21pGS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - DiffusePopleBasisSet
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 3-21+G* basis set.@en
+  4-31G:
+    class_uri: http://purl.org/gc/4-31G
+    is_a: SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 4-31G basis set.@en
+  6-31G:
+    class_uri: http://purl.org/gc/6-31G
+    is_a: SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 6-31G basis set.@en
+  6-31GS:
+    class_uri: http://purl.org/gc/6-31GS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople polarization split valence 6-31G* basis set.@en
+  6-31GSS:
+    class_uri: http://purl.org/gc/6-31GSS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople polarization split valence 6-31G** basis set.@en
+  6-31pGS:
+    class_uri: http://purl.org/gc/6-31pGS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - DiffusePopleBasisSet
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople polarization split valence 6-31+G* basis set.@en
+  6-311G:
+    class_uri: http://purl.org/gc/6-311G
+    is_a: SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 6-311G basis set.@en
+  6-311GS:
+    class_uri: http://purl.org/gc/6-311GS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 6-311G* basis set.@en
+  6-311pGS:
+    class_uri: http://purl.org/gc/6-311pGS
+    is_a: PolarizedPopleBasisSet
+    mixins:
+    - DiffusePopleBasisSet
+    - SplitValencePopleBasisSet
+    comments:
+    - A class for the Pople split valence 6-311+G* basis set.@en
+  Element:
+    class_uri: pt:Element
+    is_a: MolecularConcept
+  Class:
+    class_uri: owl:Class
+    slots:
+    - hasAuxiliaryProperty
+    - hasMolecularProperty
+  ObjectProperty:
+    class_uri: owl:ObjectProperty
+  kelvin:
+    comments:
+    - a unit of temperature.@en
+  nano_meter:
+    comments:
+    - a unit of length@en
+  Amber:
+    comments:
+    - The Amber force field.@en
+  Charmm:
+    comments:
+    - The Charmm force field.@en
+  DefaultAmberParameterSet:
+    comments:
+    - Default Amber parameter set.@en
+  DefaultCharmmParameterSet:
+    comments:
+    - Default Charmm parameter set.@en
+  DefaultMMPParameterSet:
+    comments:
+    - Default MM plus parameter set@en
+  DefaultOPLSParameterSet:
+    comments:
+    - Default OPLS parameter set.@en
+  NormalMethodology:
+    comments:
+    - A normal methodology.@en
+  Opls:
+    comments:
+    - The OPLS force field.@en
+  ROHF:
+    comments:
+    - Open-shell restricted Hartree-Fock method.@en
+  UHF:
+    comments:
+    - Unrestricted Hartree-Fock method.@en
+  angstrom:
+    comments:
+    - A unit of length.@en
+  atomicUnit:
+    comments:
+    - "Atomic Unit this is measure in units of elementary atomic charge called atomicUnits\
+      \ (a.u) .\n\tThe elementary unit of charge (e) is called an atomic unit (a.u.)\
+      \ of charge and is so many Coulombs (1.6 *10**(-19) Coulombs. (float)@en"
+  cm-1:
+    comments:
+    - A wavenumber - the unit of frequency.@en
+  debye:
+    comments:
+    - '@en'
+  electronVolts:
+    comments:
+    - the unit of energy.@en
+  hartree:
+    comments:
+    - the unit of energy.@en
+  kiloCalories:
+    comments:
+    - the unit of energy@en
+  kiloCaloriesPerAngstrom:
+    comments:
+    - ???@en
+  kiloJoules:
+    comments:
+    - a unit of energy@en
+  Mm+:
+    comments:
+    - MM+ force field.@en
+slots:
+  BFO_0000124:
+    slot_uri: bfo:BFO_0000124
+    multivalued: true
+  IsAtomProperty:
+    slot_uri: gc:IsAtomProperty
+    is_a: extraGCObjectProperty
+    comments:
+    - A generic atomic property@en
+    multivalued: true
+  IsSystemProperty:
+    slot_uri: gc:IsSystemProperty
+    is_a: extraGCObjectProperty
+    comments:
+    - A generic system property@en
+    multivalued: true
+  binds:
+    slot_uri: gc:binds
+    range: Atom
+    is_a: hasMolecularProperty
+    comments:
+    - A property that tells which atoms are bonded.@en
+    multivalued: true
+  extraGCObjectProperty:
+    slot_uri: gc:extraGCObjectProperty
+    multivalued: true
+  hasAtom:
+    slot_uri: gc:hasAtom
+    range: Atom
+    is_a: hasMolecularProperty
+    mixins:
+    - BFO_0000124
+    comments:
+    - A property that describes atoms comprised by a molecule or residue@en
+    multivalued: true
+  hasAtomCoordinateX:
+    slot_uri: gc:hasAtomCoordinateX
+    range: FloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasCoordinates
+    comments:
+    - A property that describes Atom X coordinate@en
+    multivalued: true
+  hasAtomCoordinateY:
+    slot_uri: gc:hasAtomCoordinateY
+    range: FloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasCoordinates
+    comments:
+    - A property that describes Atom Y coordinate@en
+    multivalued: true
+  hasAtomCoordinateZ:
+    slot_uri: gc:hasAtomCoordinateZ
+    range: FloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasCoordinates
+    comments:
+    - A property that describes Atom Z coordinate@en
+    multivalued: true
+  hasAtomProperty:
+    slot_uri: gc:hasAtomProperty
+    range: ObjectProperty
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasMolecularData
+    comments:
+    - A property that allows to declare a general property for an atom.@en
+    - A property that allows to describe an atom, like NMR Shielding@en
+    multivalued: true
+  hasAuthor:
+    slot_uri: gc:hasAuthor
+    range: Author
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes teh author@en
+    multivalued: true
+  hasAuxiliaryProperty:
+    slot_uri: gc:hasAuxiliaryProperty
+    range: Class
+    comments:
+    - The upper property for various properties related to publications
+    multivalued: true
+  hasBasisCount:
+    slot_uri: gc:hasBasisCount
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Basis Count.@en
+    multivalued: true
+  hasBasisSet:
+    slot_uri: gc:hasBasisSet
+    range: BasisSet
+    is_a: hasMolecularFeature
+    mixins:
+    - hasFeature
+    comments:
+    - A property that allows Basis Sets to be assigned to a given quantum methodology@en
+    - A property that allows to define Basis Set -  finite set of functions used to
+      approximately express the Molecular Orbital wavefunction(s) of system, normally
+      atom centered, consisting of AOs differing in local angular momentum for each
+      atom.@en
+    multivalued: true
+  hasBindingEnergy:
+    slot_uri: gc:hasBindingEnergy
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that allows to assign the Binding Energy to the molecular system@en
+    multivalued: true
+  hasBond:
+    slot_uri: gc:hasBond
+    range: Bond
+    is_a: hasMolecularProperty
+    comments:
+    - A property that allows the bond to be assigned to atoms.@en
+    multivalued: true
+  hasBondLength:
+    slot_uri: gc:hasBondLength
+    range: FloatValue
+    is_a: hasMolecularProperty
+    comments:
+    - A property that allows bond length to be assigned the a bond.@en
+    multivalued: true
+  hasBondOrder:
+    slot_uri: gc:hasBondOrder
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies bond order.@en
+    multivalued: true
+  hasBondType:
+    slot_uri: gc:hasBondType
+    range: BondTypes
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Bond Type@en
+    - 'A property that describes bond type@en '
+    multivalued: true
+  hasCalculatedAtomCharge:
+    slot_uri: gc:hasCalculatedAtomCharge
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes the atom charge calculated by a specific methodology.@en
+    multivalued: true
+  hasCalculation:
+    slot_uri: gc:hasCalculation
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the calculation.@en
+    multivalued: true
+  hasCalculationOn:
+    slot_uri: gc:hasCalculationOn
+    is_a: hasResult
+    comments:
+    - A property that tells whether the molecular system has calculations done.@en
+    multivalued: true
+  hasCollectionEntry:
+    slot_uri: gc:hasCollectionEntry
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Collection Entry.@en
+    multivalued: true
+  hasCoordinates:
+    slot_uri: gc:hasCoordinates
+    range: VectorValue
+    is_a: hasMolecularProperty
+    comments:
+    - A property that describes atom coordinates.@en
+    multivalued: true
+  hasCorrelationEnergy:
+    slot_uri: gc:hasCorrelationEnergy
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that describes system correlation energy.@en
+    multivalued: true
+  hasCorrelationFunctional:
+    slot_uri: gc:hasCorrelationFunctional
+    range: CorrelationFunctional
+    is_a: hasFeature
+    comments:
+    - A property that describes the correlation functional for the given methodology.@en
+    multivalued: true
+  hasDftFlavor:
+    slot_uri: gc:hasDftFlavor
+    range: DftFlavor
+    is_a: hasFeature
+    comments:
+    - A property that describes specific approximations to exchange-correlation functionals
+      in the Density Functional Theory.@en
+    multivalued: true
+  hasDftFunctional:
+    slot_uri: gc:hasDftFunctional
+    range: DensityFunctional
+    is_a: hasFeature
+    comments:
+    - A property that describes DFT Functionals for the given methodology.@en
+    multivalued: true
+  hasDipoleMoment:
+    slot_uri: gc:hasDipoleMoment
+    range: VectorValue
+    is_a: hasDipoleResult
+    comments:
+    - A property that describes molecular dipole moment.@en
+    multivalued: true
+  hasDipoleMomentAverage:
+    slot_uri: gc:hasDipoleMomentAverage
+    range: FloatValue
+    is_a: hasDipoleResult
+    comments:
+    - A property that describes the average molecular dipole moment.@en
+    multivalued: true
+  hasDipoleMomentX:
+    slot_uri: gc:hasDipoleMomentX
+    range: FloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasDipoleMoment
+    comments:
+    - A property that reports dipole moment X component@en
+    multivalued: true
+  hasDipoleMomentY:
+    slot_uri: gc:hasDipoleMomentY
+    range: FloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasDipoleMoment
+    comments:
+    - A property ... @en
+    multivalued: true
+  hasDipoleMomentZ:
+    slot_uri: gc:hasDipoleMomentZ
+    range: FloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasDipoleMoment
+    comments:
+    - A property ... @en
+    multivalued: true
+  hasDipoleResult:
+    slot_uri: gc:hasDipoleResult
+    is_a: hasResult
+    comments:
+    - A property that describes molecular dipole moment.@en
+    multivalued: true
+  hasDispersionCorrection:
+    slot_uri: gc:hasDispersionCorrection
+    range: DispersionCorrection
+    is_a: hasFeature
+    comments:
+    - A property that describes the dispersion correction@en
+    multivalued: true
+  hasElectronicEnergy:
+    slot_uri: gc:hasElectronicEnergy
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that describes the electronic energy.@en
+    multivalued: true
+  hasElectronicSpectraResult:
+    slot_uri: gc:hasElectronicSpectraResult
+    is_a: hasResult
+    comments:
+    - A property that describes the electronic spectra.@en
+    multivalued: true
+  hasElectronicTransitions:
+    slot_uri: gc:hasElectronicTransitions
+    range: VectorValue
+    is_a: hasElectronicSpectraResult
+    comments:
+    - A property that describes electronic transition energies.@en
+    multivalued: true
+  hasExchangeFunctional:
+    slot_uri: gc:hasExchangeFunctional
+    range: ExchangeFunctional
+    is_a: hasFeature
+    comments:
+    - A property that describes the exchange functionals.@en
+    multivalued: true
+  hasExcitedStateMethod:
+    slot_uri: gc:hasExcitedStateMethod
+    is_a: hasMolecularFeature
+    comments:
+    - A property that defines the method for the calculation of the excited states
+      of molecules.@en
+    multivalued: true
+  hasFeature:
+    slot_uri: gc:hasFeature
+    range: MethodologyFeature
+    comments:
+    - A property that describes a specific feature of given methodology.@en
+    - has feature
+    multivalued: true
+  hasFile:
+    slot_uri: gc:hasFile
+    is_a: hasPublicationData
+    mixins:
+    - hasAuxiliaryProperty
+    comments:
+    - A property that describes the attachment file.@en
+    - A property that describes the reference to the attachment file.@en
+    multivalued: true
+  hasFloatVector:
+    slot_uri: gc:hasFloatVector
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Float Vector.@en
+    multivalued: true
+  hasForceField:
+    slot_uri: gc:hasForceField
+    range: ForceField
+    is_a: hasMolecularFeature
+    mixins:
+    - hasFeature
+    comments:
+    - A property that describes Force Field.@en
+    - A property that describes a specific force field for given Molecular Mechanics
+      method.@en
+    multivalued: true
+  hasFormalCharge:
+    slot_uri: gc:hasFormalCharge
+    range: IntegerValue
+    is_a: hasMolecularProperty
+    comments:
+    - A property that descibes the formal charge. The formal charge is the charge
+      assigned to an atom in a molecule, assuming that electrons in a chemical bond
+      are shared equally between atoms, regardless of relative electronegativity.@en
+    multivalued: true
+  hasFrequency:
+    slot_uri: gc:hasFrequency
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes the value of a frequency at the peak of the spectrum.@en
+    multivalued: true
+  hasFrequencyPeak:
+    slot_uri: gc:hasFrequencyPeak
+    range: FrequencyPeak
+    is_a: hasResult
+    comments:
+    - A property that describes the value of a frequency peak of the vibrational spectrum.@en
+    multivalued: true
+  hasGroupProperty:
+    slot_uri: gc:hasGroupProperty
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Group Property.@en
+    multivalued: true
+  hasHeatOfFormation:
+    slot_uri: gc:hasHeatOfFormation
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that describes the value of a the Heat of Formation.@en
+    multivalued: true
+  hasIRSpectrum:
+    slot_uri: gc:hasIRSpectrum
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Molecular System@en
+    multivalued: true
+  hasIntegerVector:
+    slot_uri: gc:hasIntegerVector
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Integer Vector.@en
+    multivalued: true
+  hasIntensity:
+    slot_uri: gc:hasIntensity
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes the value of the intensity of a peak of a spectrum.@en
+    multivalued: true
+  hasKeyword:
+    slot_uri: gc:hasKeyword
+    is_a: extraGCObjectProperty
+    comments:
+    - A property describes keywords for running QC jobs@en
+    multivalued: true
+  hasMass:
+    slot_uri: gc:hasMass
+    range: hasFloatValue
+    is_a: extraGCObjectProperty
+    mixins:
+    - hasMolecularData
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasMathML:
+    slot_uri: gc:hasMathML
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies MathML object.@en
+    multivalued: true
+  hasMathMLEquation:
+    slot_uri: gc:hasMathMLEquation
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies MathML Equation.@en
+    multivalued: true
+  hasMethodology:
+    slot_uri: gc:hasMethodology
+    range: Methodology
+    is_a: hasMethodFeature
+    mixins:
+    - hasFeature
+    comments:
+    - A property that describes a methodology of computations.@en
+    - A property that describes the methodology of the computations.@en
+    multivalued: true
+  hasMolecularCollection:
+    slot_uri: gc:hasMolecularCollection
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Molecular Collection.@en
+    multivalued: true
+  hasMolecularComputation:
+    slot_uri: gc:hasMolecularComputation
+    range: MolecularComputation
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Molecular Computation@en
+    multivalued: true
+  hasMolecularMechanics:
+    slot_uri: gc:hasMolecularMechanics
+    range: boolean
+    is_a: hasCalculationOn
+    mixins:
+    - extraGCDataProperty
+    comments:
+    - A property that says (true/false) if there is MM calculation@en
+    multivalued: true
+  hasMolecularProperty:
+    slot_uri: gc:hasMolecularProperty
+    range: Class
+    comments:
+    - The upper property for various properties related to molecular systems
+    multivalued: true
+  hasMolecularSystem:
+    slot_uri: gc:hasMolecularSystem
+    range: MolecularSystem
+    is_a: extraGCObjectProperty
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasMolecule:
+    slot_uri: gc:hasMolecule
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies a molecule.@en
+    multivalued: true
+  hasMoleculeProperty:
+    slot_uri: gc:hasMoleculeProperty
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Molecule Property.@en
+    multivalued: true
+  hasMullikenCharges:
+    slot_uri: gc:hasMullikenCharges
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes computed Mulliken Charges.@en
+    multivalued: true
+  hasMultipleDeterminant:
+    slot_uri: gc:hasMultipleDeterminant
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies Multiple Determinant.@en
+    multivalued: true
+  hasMultipleReferenceState:
+    slot_uri: gc:hasMultipleReferenceState
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Multiple Reference State@en
+    multivalued: true
+  hasNmrShieldingAnisotropy:
+    slot_uri: gc:hasNmrShieldingAnisotropy
+    range: FloatValue
+    is_a: hasShielding
+    comments:
+    - A property that describes computed NMR Shielding Anisotropic component.@en
+    multivalued: true
+  hasNmrShieldingIsotropic:
+    slot_uri: gc:hasNmrShieldingIsotropic
+    range: FloatValue
+    is_a: hasShielding
+    comments:
+    - A property that describes computed NMR Shielding Isotropic component@en
+    multivalued: true
+  hasNormalMode:
+    slot_uri: gc:hasNormalMode
+    range: VectorValue
+    is_a: hasResult
+    comments:
+    - A property that describes the normal mode of a vibration@en
+    multivalued: true
+  hasNuclearRepulsionEnergy:
+    slot_uri: gc:hasNuclearRepulsionEnergy
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that describes the potential energy arising from Coulombic nuclei-nuclei
+      repulsions@en
+    multivalued: true
+  hasNumberBasisFunc:
+    slot_uri: gc:hasNumberBasisFunc
+    range: NumberBasisFunc
+    is_a: hasFeature
+    comments:
+    - A property that describes the number of basis functions.@en
+    multivalued: true
+  hasOccupancy:
+    slot_uri: gc:hasOccupancy
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes the occupancy of the orbital@en
+    multivalued: true
+  hasOccupiedOrbitalsIncluded:
+    slot_uri: gc:hasOccupiedOrbitalsIncluded
+    is_a: hasMolecularFeature
+    comments:
+    - A property that describes the inclusion of occupied orbitals in electronic spectra
+      calculations.@en
+    multivalued: true
+  hasOpenShellTreatment:
+    slot_uri: gc:hasOpenShellTreatment
+    is_a: hasMolecularFeature
+    comments:
+    - A property that describes the treatment of open shell systems.@en
+    multivalued: true
+  hasOrbital:
+    slot_uri: gc:hasOrbital
+    range: Orbital
+    is_a: hasResult
+    comments:
+    - A property that describes the orbital.@en
+    multivalued: true
+  hasOrbitalCount:
+    slot_uri: gc:hasOrbitalCount
+    is_a: hasMolecularFeature
+    comments:
+    - A property that defines the number of electron orbitals@en
+    multivalued: true
+  hasOrbitalEnergy:
+    slot_uri: gc:hasOrbitalEnergy
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes the orbital energy.@en
+    multivalued: true
+  hasOrbitalSymmetry:
+    slot_uri: gc:hasOrbitalSymmetry
+    is_a: hasMolecularFeature
+    comments:
+    - A property that defines Orbital symmetry@en
+    multivalued: true
+  hasOscillatorStrength:
+    slot_uri: gc:hasOscillatorStrength
+    range: VectorValue
+    is_a: hasElectronicSpectraResult
+    comments:
+    - A property that defines oscillator strengths of electronic spectra.@en
+    multivalued: true
+  hasOutputFile:
+    slot_uri: gc:hasOutputFile
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Output file.@en
+    multivalued: true
+  hasParameter:
+    slot_uri: gc:hasParameter
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies a parameter.@en
+    multivalued: true
+  hasParameterSet:
+    slot_uri: gc:hasParameterSet
+    range: ParameterSet
+    is_a: hasMolecularFeature
+    mixins:
+    - hasFeature
+    comments:
+    - A property that defines the parametr set for calculations.@en
+    - A property that describes a specific parameter set for Molecular Mechanics calculations.@en
+    multivalued: true
+  hasPropertyValue:
+    slot_uri: gc:hasPropertyValue
+    is_a: extraGCObjectProperty
+    comments:
+    - A property Value@en
+    multivalued: true
+  hasPublisher:
+    slot_uri: gc:hasPublisher
+    range: publisher
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that relates publication to publisher@en
+    multivalued: true
+  hasQuantity:
+    slot_uri: gc:hasQuantity
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that defines quantity@en
+    multivalued: true
+  hasQuantumMechanics:
+    slot_uri: gc:hasQuantumMechanics
+    range: boolean
+    is_a: hasCalculationOn
+    mixins:
+    - extraGCDataProperty
+    comments:
+    - A property that says (true/false) if there is QM calculation@en
+    multivalued: true
+  hasRMSGradient:
+    slot_uri: gc:hasRMSGradient
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that describes RMS gradient of the computations.@en
+    multivalued: true
+  hasResidue:
+    slot_uri: gc:hasResidue
+    range: Residue
+    is_a: hasMolecularProperty
+    mixins:
+    - BFO_0000124
+    comments:
+    - A property that describes the residue in a molecule.@en
+    multivalued: true
+  hasResidueProperty:
+    slot_uri: gc:hasResidueProperty
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the Residue Property.@en
+    multivalued: true
+  hasResult:
+    slot_uri: gc:hasResult
+    range: CalculationResult
+    comments:
+    - A property that describes generic results of the computations.@en
+    multivalued: true
+  hasScope:
+    slot_uri: gc:hasScope
+    range: MolecularSystem
+    is_a: extraGCObjectProperty
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasShielding:
+    slot_uri: gc:hasShielding
+    range: FloatValue
+    is_a: hasResult
+    comments:
+    - A property that describes an NMR shielding of an atom.@en
+    multivalued: true
+  hasSingleDeterminantType:
+    slot_uri: gc:hasSingleDeterminantType
+    is_a: extraGCObjectProperty
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasSingleReferenceState:
+    slot_uri: gc:hasSingleReferenceState
+    is_a: extraGCObjectProperty
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasSingleReferenceStateType:
+    slot_uri: gc:hasSingleReferenceStateType
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Reference State Type@en
+    multivalued: true
+  hasSource:
+    slot_uri: gc:hasSource
+    is_a: extraGCObjectProperty
+    mixins:
+    - extraGCDataProperty
+    comments:
+    - A property that describes softare package@en
+    - A property that reports what software package was used
+    multivalued: true
+  hasSourcePackage:
+    slot_uri: gc:hasSourcePackage
+    range: SourcePackage
+    is_a: hasAuxiliaryProperty
+    comments:
+    - A property that defines relations that allows to describe Source Package for
+      Publication.@en
+    multivalued: true
+  hasSpinType:
+    slot_uri: gc:hasSpinType
+    range: SpinType
+    is_a: hasMolecularFeature
+    mixins:
+    - hasFeature
+    comments:
+    - A property that defines the spin type.@en
+    - A property that describes handling of spins by the methodology (RHF,UHF,ROHF).@en
+    multivalued: true
+  hasSystemCharge:
+    slot_uri: gc:hasSystemCharge
+    range: FloatValue
+    is_a: hasMolecularProperty
+    comments:
+    - A property that describes molecular system charge.@en
+    multivalued: true
+  hasSystemEnergiesResult:
+    slot_uri: gc:hasSystemEnergiesResult
+    is_a: hasResult
+    comments:
+    - A property that describes system energies.@en
+    multivalued: true
+  hasSystemMultiplicity:
+    slot_uri: gc:hasSystemMultiplicity
+    is_a: hasMolecularFeature
+    comments:
+    - A property that describes the system spin multiplicity.@en
+    multivalued: true
+  hasSystemProperty:
+    slot_uri: gc:hasSystemProperty
+    range: CalculatedSystemProperties
+    is_a: extraGCObjectProperty
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasSystemTemperature:
+    slot_uri: gc:hasSystemTemperature
+    range: FloatValue
+    is_a: hasMolecularProperty
+    comments:
+    - A property that describes system temperature.@en
+    multivalued: true
+  hasTotalPotentialEnergy:
+    slot_uri: gc:hasTotalPotentialEnergy
+    range: FloatValue
+    is_a: hasSystemEnergiesResult
+    comments:
+    - A property that describes Total Potential Energy.@en
+    multivalued: true
+  hasTransitionCount:
+    slot_uri: gc:hasTransitionCount
+    is_a: hasMolecularFeature
+    comments:
+    - A property that describes the number of the electronic transitions in spectral
+      calculations.@en
+    multivalued: true
+  hasUnit:
+    slot_uri: gc:hasUnit
+    is_a: hasAuxiliaryProperty
+    comments:
+    - A property that describes a unit of the value.@en
+    multivalued: true
+  hasUnoccupiedOrbitalsIncluded:
+    slot_uri: gc:hasUnoccupiedOrbitalsIncluded
+    is_a: hasMolecularFeature
+    comments:
+    - A property that describes the inclusion of occupied orbitals in electronic spectra
+      calculations.@en
+    multivalued: true
+  hasVibrationCount:
+    slot_uri: gc:hasVibrationCount
+    is_a: hasMolecularFeature
+    comments:
+    - A property that describes the number of vibrational frequencies.@en
+    multivalued: true
+  hasWaveFunctionCoefficients:
+    slot_uri: gc:hasWaveFunctionCoefficients
+    range: VectorValue
+    is_a: hasResult
+    comments:
+    - A property that describes Wave Function Coefficients.@en
+    multivalued: true
+  hasXYPoint:
+    slot_uri: gc:hasXYPoint
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the XY Point.@en
+    multivalued: true
+  holds:
+    slot_uri: gc:holds
+    is_a: hasAuxiliaryProperty
+    comments:
+    - A property that defines objects held by a container.@en
+    multivalued: true
+  isCalculationOn:
+    slot_uri: gc:isCalculationOn
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the object of the calculation.@en
+    multivalued: true
+  isElement:
+    slot_uri: gc:isElement
+    range: Element
+    is_a: hasMolecularProperty
+    comments:
+    - A property that describes what element the given atom is.@en
+    multivalued: true
+  relatedEntity:
+    slot_uri: gc:relatedEntity
+    is_a: hasAuxiliaryProperty
+    comments:
+    - A property that describes related entity.@en
+    multivalued: true
+  usesMolecularCalculation:
+    slot_uri: gc:usesMolecularCalculation
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the use of Molecular Calculation.@en
+    multivalued: true
+  usesMolecularSystem:
+    slot_uri: gc:usesMolecularSystem
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that specifies the use of Molecular System.@en
+    multivalued: true
+  xAxis:
+    slot_uri: gc:xAxis
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes what is on xAxis@en
+    multivalued: true
+  xAxisUnit:
+    slot_uri: gc:xAxisUnit
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Units of X Axis@en
+    multivalued: true
+  yAxis:
+    slot_uri: gc:yAxis
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes what is on Axis@en
+    multivalued: true
+  yAxisUnit:
+    slot_uri: gc:yAxisUnit
+    is_a: extraGCObjectProperty
+    comments:
+    - A property that describes Units of X Axis@en
+    multivalued: true
+  extraGCDataProperty:
+    slot_uri: gc:extraGCDataProperty
+    multivalued: true
+  hasAtomCount:
+    slot_uri: gc:hasAtomCount
+    is_a: hasMolecularData
+    comments:
+    - A property that allows to declare total count of atoms in a given structure
+      - Molecular System or Molecule or Residue.@en
+    multivalued: true
+  hasBondCount:
+    slot_uri: gc:hasBondCount
+    is_a: hasMolecularData
+    comments:
+    - A property that determinates the count of bonds into Molecule, Residue or Atom.@en
+    multivalued: true
+  hasCategory:
+    slot_uri: gc:hasCategory
+    is_a: hasPublicationData
+    comments:
+    - A property that determines a category of the publication.@en
+    multivalued: true
+  hasChainNumber:
+    slot_uri: gc:hasChainNumber
+    is_a: hasMolecularData
+    comments:
+    - A property that defines chain number in the molecule.@en
+    multivalued: true
+  hasElementSymbol:
+    slot_uri: gc:hasElementSymbol
+    is_a: hasMolecularData
+    comments:
+    - A property that defines the Symbol of the element of an atom.@en
+    multivalued: true
+  hasEmail:
+    slot_uri: gc:hasEmail
+    is_a: hasPublicationData
+    comments:
+    - A property that describes the email address of corresponding author.@en
+    multivalued: true
+  hasFirstName:
+    slot_uri: gc:hasFirstName
+    is_a: hasPublicationData
+    comments:
+    - A property that describes the first name of corresponding author.@en
+    multivalued: true
+  hasFloatValue:
+    slot_uri: gc:hasFloatValue
+    is_a: hasValue
+    multivalued: true
+  hasInChIKey:
+    slot_uri: gc:hasInChIKey
+    is_a: hasMolecularData
+    comments:
+    - A property that describes the InChI Key - the condensed, 27 character hashed
+      version of the InChI String.@en
+    multivalued: true
+  hasInChIString:
+    slot_uri: gc:hasInChIString
+    is_a: hasMolecularData
+    comments:
+    - A property that describes the InChI String - International Chemical Identifier
+      - a textual identifier for chemical substances.@en
+    multivalued: true
+  hasIndex:
+    slot_uri: gc:hasIndex
+    is_a: hasMolecularData
+    comments:
+    - A property that defines a sequential arrangement of material in numerical order,
+      i.e. Frequency Peak, Orbital or a sequence number in residue.@en
+    multivalued: true
+  hasInput:
+    slot_uri: gc:hasInput
+    is_a: hasPublicationData
+    comments:
+    - A property that defines the contents of the input file of the calculation.@en
+    multivalued: true
+  hasInputFile:
+    slot_uri: gc:hasInputFile
+    is_a: extraGCDataProperty
+    comments:
+    - A property that specifies input file for calculations.@en
+    multivalued: true
+  hasInsertion:
+    slot_uri: gc:hasInsertion
+    is_a: hasMolecularData
+    comments:
+    - A property that defines the insertion code for residue numbering.@en
+    multivalued: true
+  hasIntegerValue:
+    slot_uri: gc:hasIntegerValue
+    is_a: hasValue
+    comments:
+    - A property that describes Integer Value.@en
+    multivalued: true
+  hasKey:
+    slot_uri: gc:hasKey
+    is_a: hasPublicationData
+    comments:
+    - A property that defines the security key of the publication.@en
+    multivalued: true
+  hasLastName:
+    slot_uri: gc:hasLastName
+    is_a: hasPublicationData
+    comments:
+    - A property that describes the last name of corresponding author.@en
+    multivalued: true
+  hasMethod:
+    slot_uri: gc:hasMethod
+    is_a: hasMethodFeature
+    comments:
+    - A property that defines the calculation method for given technology.@en
+    multivalued: true
+  hasMethodFeature:
+    slot_uri: gc:hasMethodFeature
+    comments:
+    - The upper property for various properties related to computational methods
+    multivalued: true
+  hasMolecularData:
+    slot_uri: gc:hasMolecularData
+    comments:
+    - The upper property for various properties related to Molecular Data
+    multivalued: true
+  hasMolecularFeature:
+    slot_uri: gc:hasMolecularFeature
+    comments:
+    - The upper property for various properties related to Molecular Data
+    multivalued: true
+  hasName:
+    slot_uri: gc:hasName
+    is_a: hasMolecularData
+    comments:
+    - A property that defines the name of molecular system elements, i.e. atom or
+      residue.@en
+    - The name of an entity.
+    multivalued: true
+  hasNaturalValue:
+    slot_uri: gc:hasNaturalValue
+    is_a: hasValue
+    comments:
+    - A property that defines natural value.@en
+    multivalued: true
+  hasNumber:
+    slot_uri: gc:hasNumber
+    is_a: extraGCDataProperty
+    comments:
+    - A property of having a number@en
+    multivalued: true
+  hasNumberOfAtoms:
+    slot_uri: gc:hasNumberOfAtoms
+    is_a: extraGCDataProperty
+    mixins:
+    - hasMolecularData
+    comments:
+    - A property that determines the number of atoms in a given collection@en
+    multivalued: true
+  hasOrganization:
+    slot_uri: gc:hasOrganization
+    is_a: hasPublicationData
+    comments:
+    - A property that describes the organization of corresponding author.@en
+    multivalued: true
+  hasOutput:
+    slot_uri: gc:hasOutput
+    is_a: hasPublicationData
+    comments:
+    - The property that defines the contents of the output file of the calculation.@en
+    multivalued: true
+  hasPeakCount:
+    slot_uri: gc:hasPeakCount
+    is_a: extraGCDataProperty
+    mixins:
+    - hasMolecularData
+    comments:
+    - A property that determinates the count of peaks in a spectrum.@en
+    multivalued: true
+  hasPropertyCount:
+    slot_uri: gc:hasPropertyCount
+    is_a: extraGCDataProperty
+    comments:
+    - A property that reports property count@en
+    multivalued: true
+  hasPublicationData:
+    slot_uri: gc:hasPublicationData
+    comments:
+    - The upper property for various properties related to the publication data
+    multivalued: true
+  hasSecondaryStructure:
+    slot_uri: gc:hasSecondaryStructure
+    is_a: hasMolecularData
+    comments:
+    - A property that defines the three-dimensional form of local segments of biopolymers.@en
+    multivalued: true
+  hasStatus:
+    slot_uri: gc:hasStatus
+    is_a: hasPublicationData
+    comments:
+    - A property that describes the status of the publication.@en
+    multivalued: true
+  hasTag:
+    slot_uri: gc:hasTag
+    is_a: extraGCDataProperty
+    comments:
+    - A property that reports tags assigned to publication@en
+    multivalued: true
+  hasTechnology:
+    slot_uri: gc:hasTechnology
+    is_a: hasMethodFeature
+    comments:
+    - A property that describes the calculation's technology for molecular system.@en
+    multivalued: true
+  hasTextValue:
+    slot_uri: gc:hasTextValue
+    is_a: extraGCDataProperty
+    comments:
+    - A property ...@en
+    multivalued: true
+  hasValue:
+    slot_uri: gc:hasValue
+    comments:
+    - A Superproperty of typed numerical values.@en
+    multivalued: true
+  hasVectorValue:
+    slot_uri: gc:hasVectorValue
+    is_a: hasValue
+    comments:
+    - A property that describes the vector values.@en
+    multivalued: true
+  hasVersion:
+    slot_uri: gc:hasVersion
+    is_a: hasPublicationData
+    comments:
+    - A property that describes the version of the software package used.@en
+    multivalued: true
+  hasVisibility:
+    slot_uri: gc:hasVisibility
+    is_a: hasPublicationData
+    comments:
+    - A property that defines the allowed visibility of the publication.@en
+    multivalued: true
+  license:
+    slot_uri: cc:license
+    multivalued: true
+  contributor:
+    slot_uri: dc:contributor
+    multivalued: true
+  created:
+    slot_uri: dc:created
+    multivalued: true
+  creator:
+    slot_uri: dcterms:creator
+    multivalued: true
+  date:
+    slot_uri: dc:date
+    multivalued: true
+  description:
+    slot_uri: dc:description
+    multivalued: true
+  rights:
+    slot_uri: dc:rights
+    multivalued: true
+  subject:
+    slot_uri: dc:subject
+    multivalued: true
+  title:
+    slot_uri: dcterms:title
+    multivalued: true
+  isAbstract:
+    slot_uri: gc:isAbstract
+    range: boolean
+    comments:
+    - "This annotation should be used to mark entities as abstract.\n\tAbstract entity\
+      \ is a defined OWL resource that from a data model should never be defined explicitly.\n\
+      \n\tNOTE!\n\tSince it's only a annotation property, it doesn't impact a logical\
+      \ definition of an Entity. Such a property should be treated as a \\\"side note\\\
+      \".\t@en"
+    multivalued: true
+  termStatus:
+    slot_uri: gc:termStatus
+    range: string
+    comments:
+    - "Such a annotation contains information about defined in DMS ontology Axiom\
+      \ status.\n\tSince it's a text based value, follwing enumerations should be\
+      \ used as values:\n\n\t- STABLE (Entity was tested during QA process and is\
+      \ stable)\n\t- UNSTABLE (Entity is unstable due to some reasone - shouldn't\
+      \ be use till fixed)\n\t- TESTING (Entity is under testing process)\n\t- ARCHAIC\
+      \ (old and unused definition - probably will be removed in comming iterations)\n\
+      \t- DEPRECATED (Entity is deprecated due to some reason - should not be used)\n\
+      \t- NEW (new definition)\n\t- FIX (definition that was made to bring fix for\
+      \ some issue)\n\n\tNOTE!\n\tSince it's only a annotation property, it doesn't\
+      \ impact a logical definition of an Entity. Such a property should be treated\
+      \ as a \\\"side note\\\".\t@en"
+    multivalued: true
+  termStatusNote:
+    slot_uri: gc:termStatusNote
+    range: string
+    comments:
+    - "This property is a status description of a particular Entity. Combined with\
+      \ log:termStatus contains information aboud current status of an Entity, with\
+      \ a information about history, changes, etc.\n\n\tNOTE!\n\tSince it's only a\
+      \ annotation property, it doesn't impact a logical definition of an Entity.\
+      \ Such a property should be treated as a \\\"side note\\\".\t@en"
+    multivalued: true
+enums: {}
+