Statements (33)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational chemistry software
|
| gptkbp:application |
quantum chemistry
molecular modeling electronic structure calculations |
| gptkbp:author |
gptkb:John_Pople
|
| gptkbp:citation |
M. J. Frisch et al., Gaussian 16 Revision C.01, Gaussian, Inc., Wallingford CT, 2016.
|
| gptkbp:developer |
gptkb:Gaussian,_Inc.
|
| gptkbp:feature |
gptkb:Density_Functional_Theory
gptkb:Møller–Plesset_perturbation_theory Configuration interaction Coupled cluster methods Geometry optimization Hartree-Fock calculations Solvation models Transition state search Vibrational frequency analysis |
| gptkbp:firstReleased |
1970
|
| gptkbp:format |
Gaussian input file
Gaussian output file |
| https://www.w3.org/2000/01/rdf-schema#label |
Gaussian software
|
| gptkbp:latestReleaseVersion |
gptkb:Gaussian_16
|
| gptkbp:license |
proprietary
|
| gptkbp:notableUser |
gptkb:John_Pople
|
| gptkbp:operatingSystem |
gptkb:Windows
gptkb:macOS gptkb:Linux |
| gptkbp:programmingLanguage |
gptkb:Fortran
|
| gptkbp:usedIn |
materials science
academic research pharmaceutical industry |
| gptkbp:website |
https://gaussian.com/
|
| gptkbp:bfsParent |
gptkb:John_Pople
|
| gptkbp:bfsLayer |
5
|