Statements (14)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
computational chemistry software |
| gptkbp:field |
computational chemistry
|
| gptkbp:format |
Gaussian input file
Gaussian output file |
| gptkbp:hasMethod |
gptkb:density_functional_theory
semi-empirical methods ab initio methods |
| https://www.w3.org/2000/01/rdf-schema#label |
CGS-Gaussian
|
| gptkbp:relatedTo |
gptkb:Gaussian_software
|
| gptkbp:usedFor |
molecular modeling
quantum chemistry calculations |
| gptkbp:bfsParent |
gptkb:centimetre-gram-second_system
|
| gptkbp:bfsLayer |
6
|