Gaussian

Gaussian

It provides state-of-the-art capabilities for electronic structure modeling. Gaussian is licensed for a wide variety of computer systems. All versions of Gaussian contain every scientific/modeling feature, and none imposes any artifical limitations on calculations other than your computing resources and patience.

Gaussian is a electronic structure program, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide. Starting from the fundamental laws of quantum mechanics, Gaussian predicts the energies, molecular structures, vibrational frequencies and molecular properties of molecules and reactions in a wide variety of chemical environments. Gaussian’s models can be applied to both stable species and compounds which are difficult or impossible to observe experimentally (e.g., short-lived intermediates and transition structures).

Gaussian provides the most advanced modeling capabilities available today, and it includes many new features and enhancements which significantly expand the range of problems and systems which can be studied. With Gaussian, you can model larger systems and more complex problems than ever before, even on modest computer hardware.


GaussView

With GaussView you can:
• Examine Molecular Structures
• Building/Modifying Molecules
• Setup Features for Specific Job Types
• Prepare and Run Gaussian Calculations
• Visualize Gaussian Results
• Customize GaussView





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.

SCIENTEC Software Científico y Técnico©