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gptkbp:instanceOf
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computational chemistry software
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gptkbp:application
|
quantum chemistry
molecular modeling
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gptkbp:citation
|
gptkb:Frisch,_M._J._et_al._Gaussian_16,_Revision_C.01,_Gaussian,_Inc.,_Wallingford_CT,_2016.
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
|
gptkb:ONIOM_method
frequency analysis
thermochemistry
geometry optimization
transition state search
solvent effects
NMR calculation
UV/Vis spectra calculation
population analysis
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gptkbp:fileExtension
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.com
.log
.chk
.cub
.fchk
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gptkbp:format
|
Gaussian input file
Gaussian output file
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gptkbp:hasMethod
|
gptkb:Coupled_cluster_theory
gptkb:Density_Functional_Theory
gptkb:Hartree-Fock
gptkb:Møller–Plesset_perturbation_theory
Configuration interaction
Molecular mechanics
Semi-empirical methods
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gptkbp:headquartersLocation
|
gptkb:Wallingford,_Connecticut,_USA
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|
https://www.w3.org/2000/01/rdf-schema#label
|
Gaussian 16
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gptkbp:latestReleaseVersion
|
Revision C.01
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gptkbp:license
|
proprietary
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gptkbp:operatingSystem
|
gptkb:Windows
gptkb:macOS
gptkb:Linux
|
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gptkbp:predecessor
|
gptkb:Gaussian_09
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gptkbp:programmingLanguage
|
gptkb:Fortran
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gptkbp:releaseYear
|
2016
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gptkbp:usedBy
|
chemists
materials scientists
pharmaceutical researchers
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gptkbp:usedFor
|
electronic structure calculations
molecular property prediction
reaction pathway analysis
spectroscopic property prediction
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gptkbp:website
|
https://gaussian.com/g16/
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gptkbp:bfsParent
|
gptkb:Gaussian_computational_chemistry_software
gptkb:Gaussian_software
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gptkbp:bfsLayer
|
6
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