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Gaussian09

Description

It provides state-of-the-art capabilities for electronic structure modeling.


Instructions



Full Description

Ab Initio, Semi-empirical, DFT, Perturbation theory, Coupled-Cluster, Hartree-Fock, Time-Dependent DFT and HF; calculations in gas-phase, solvents, periodic phases; geometry optimizations, frequencies, transition states, spectroscopic properties,…

Gaussian09
Software information
  • Formal Website: www.gaussian.com
  • Version: Gaussian09_E01; Gaussian09E01_AVX; Gaussian09_D01
  • Access Type: Licensed
  • CompChem Group: Gaussian09
  • Module: N/A
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