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Brief description:

The quantum chemical program package Gaussian is a large program system for the calculation of the electronic structure of molecules. Numerous ab-initio methods, semi-empirical procedures and methods of density functional theory are available for performing quantum chemical calculations.

Program versions:

Gaussian 16 Rev A.03 (Linux Binary Licence)

Gaussian 16 for Windows

Gaussview6 (Linux and Windows)

Contact

Dr. Simone Knief

Prof. Dr. Gernot Friedrichs

Responsible