Ontologies
ATOMISTIC

Domain ontology for atomistic and electronic modelling (ATOMISTIC)

OWL
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Last submission date July 21, 2026
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Classes ATOMISTIC
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http://www.w3.org/2002/07/owl#Class

BasisSet

IRI
Preferred name

BasisSet
Type http://www.w3.org/2002/07/owl#Class
Status Active
Ontology ATOMISTIC
Definition
A collection of mathematical functions used to represent molecular orbitals in quantum chemical calculations.
ID https://w3id.org/emmo/domain/atomistic#EMMO_abdf0104-0349-4c60-b4b8-91161660b2f4
https://w3id.org/emmo/domain/atomistic#EMMO_abdf0104-0349-4c60-b4b8-91161660b2f4
https://stage.matportal.org/ontologies/ATOMISTIC/EMMO_abdf0104-0349-4c60-b4b8-91161660b2f4
Preferred name

BasisSet
Definitions
A collection of mathematical functions used to represent molecular orbitals in quantum chemical calculations.

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rdf:type
rdfs:subClassOf
skos:prefLabel
BasisSet
elucidation
A collection of mathematical functions used to represent molecular orbitals in quantum chemical calculations.
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