Gaussian
from Gaussian, Inc., Pittsburgh
last change 28.04.2005 |
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from Gaussian, Inc., Pittsburgh
Gaussian is designed to model a broad range of molecular systems under a variety of conditions, performing its computations starting from the basic laws of quantum mechanics. It provides a wide number of ab initio models, some semiempirical models, and Density Functional Theory (DFT) methods. Gaussian can predict energies, molecular structures, vibrational frequencies and numerous molecular properties for systems in the gas phase and in solution, and it can model both their ground state and excited states.
| Version Gaussian 03, Revision B.03 | |
| Availability: JUMP and Linux | |
| Access and Usage |
| Visualization software |
Information and Documentation
| Gaussian 03 Online-Manual | |
| What's new in Gaussian 03 | |
| Gaussian Tech: A Collaboration of IBM and the Supercomputing Institute | |
| Manuals, Books, Tutorials | |
| Gaussian am RRZ zu Köln | |
| Gaussian WWW server |
last change 28.04.2005 |
