Gaussian computational chemistry software

URI: https://gptkb.org/entity/Gaussian_computational_chemistry_software
GPTKB entity
Statements (28)
Predicate Object
gptkbp:instanceOf 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
https://www.w3.org/2000/01/rdf-schema#label Gaussian computational chemistry software
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
gptkbp:bfsLayer 5