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gptkbp:instanceOf
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gptkb:computational_chemistry_software
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gptkbp:application
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quantum chemistry
molecular modeling
electronic structure calculations
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gptkbp:author
|
gptkb:John_Pople
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gptkbp:citation
|
M. J. Frisch et al., Gaussian 16 Revision C.01, Gaussian, Inc., Wallingford CT, 2016.
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gptkbp:developer
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gptkb:Gaussian,_Inc.
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gptkbp:feature
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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
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gptkbp:firstReleased
|
1970
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gptkbp:format
|
Gaussian input file
Gaussian output file
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gptkbp:latestReleaseVersion
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gptkb:Gaussian_16
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gptkbp:license
|
proprietary
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gptkbp:notableUser
|
gptkb:John_Pople
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gptkbp:operatingSystem
|
gptkb:Windows
gptkb:macOS
gptkb:Linux
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gptkbp:programmingLanguage
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gptkb:Fortran
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gptkbp:usedIn
|
materials science
academic research
pharmaceutical industry
|
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gptkbp:website
|
https://gaussian.com/
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gptkbp:bfsParent
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gptkb:John_Pople
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gptkbp:bfsLayer
|
6
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|
https://www.w3.org/2000/01/rdf-schema#label
|
Gaussian software
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