Gaussian computational chemistry software

GPTKB entity

Predicate	Object
gptkbp:instanceOf	gptkb:computational_chemistry_software
gptkbp:application	molecular modeling electronic structure calculations quantum chemistry calculations
gptkbp:author	gptkb:John_Pople
gptkbp:citation	gptkb:Gaussian_16,_Revision_C.01,_M._J._Frisch_et_al.
gptkbp:developer	gptkb:Gaussian,_Inc.
gptkbp:firstReleased	1970
gptkbp:format	Gaussian input file Gaussian output file
gptkbp:hasMethod	gptkb:Coupled_cluster_theory gptkb:Density_Functional_Theory gptkb:Hartree-Fock gptkb:Møller–Plesset_perturbation_theory Configuration interaction
gptkbp:latestReleaseVersion	gptkb:Gaussian_16
gptkbp:license	proprietary
gptkbp:namedAfter	gptkb:Carl_Friedrich_Gauss
gptkbp:notableUser	pharmaceutical industry academic researchers materials science researchers
gptkbp:operatingSystem	gptkb:Windows gptkb:macOS gptkb:Linux
gptkbp:website	https://gaussian.com/
gptkbp:bfsParent	gptkb:John_Pople gptkb:Sir_John_Pople
gptkbp:bfsLayer	6
https://www.w3.org/2000/01/rdf-schema#label	Gaussian computational chemistry software