Gaussian und GaussView


Auf der offiziellen Gaussian-Website findet sich u.a. eine ausführliche Programmbeschreibung, Zitat:

''Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. It can be used to study molecules and reactions under a wide range of conditions, including both stable species and compounds which are difficult or impossible to observe experimentally such as short-lived intermediates and transition structures.''

Gaussian am RZ der TUHH

Auf dem HPC-Cluster des Rechenzentrums ist Gaussian 09 B 0.1 installiert.


Gaussian 03 Doku (HTML)

Gaussian 09 Doku (HTML)