|
gptkbp:instanceOf
|
computational chemistry software
|
|
gptkbp:application
|
quantum chemistry
molecular modeling
electronic structure 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:feature
|
gptkb:Coupled_cluster_theory
gptkb:Density_Functional_Theory
gptkb:Møller–Plesset_perturbation_theory
Geometry optimization
Hartree-Fock calculations
Solvation models
Transition state search
Vibrational frequency analysis
Molecular properties calculation
|
|
gptkbp:firstReleased
|
1970
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Gaussian program
|
|
gptkbp:latestReleaseVersion
|
gptkb:Gaussian_16
|
|
gptkbp:license
|
proprietary
|
|
gptkbp:namedAfter
|
gptkb:Carl_Friedrich_Gauss
|
|
gptkbp:notableUser
|
gptkb:John_Pople
|
|
gptkbp:operatingSystem
|
gptkb:Windows
gptkb:macOS
gptkb:Linux
|
|
gptkbp:usedIn
|
materials science
academic research
pharmaceutical industry
|
|
gptkbp:website
|
https://gaussian.com/
|
|
gptkbp:writtenBy
|
gptkb:Fortran
|
|
gptkbp:bfsParent
|
gptkb:Sir_John_Pople
gptkb:Sir_John_Anthony_Pople
|
|
gptkbp:bfsLayer
|
6
|