Gaussian Software
Gaussian 03
Gaussian 03 is the latest in the Gaussian series of electronic structure programs. Gaussian 03 is used by chemists, chemical engineers, biochemists, physicists and others for research in established and emerging areas of chemical interest.
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.
GaussView
An affordable, full-featured graphical user interface for Gaussian 03. GaussView makes using Gaussian 03 simple and straightforward:
- Sketch in molecules using its advanced 3D Structure Builder, or load in molecules from standard files.
- Set up and submit Gaussian 03 jobs right from the interface, and monitor their progress as they run.
- Examine calculation results graphically via state-of-the-art visualization features: display molecular orbitals and other surfaces, view spectra, animate normal modes, geometry optimizations and reaction paths.
TCP Linda
TCP Linda is a parallel execution environment which has been used to create a parallel version of Gaussian for local area network and some distributed memory multiprocessor environments.
More information at www.gaussian.com