Cerius2 Quantum Mechanics Workbench integrates the entire range of QM methods. Ab initio, semi-empirical, and density functional calculations predict properties including molecular structure, energetics and charge distribution. Modeling tools help calculation set up. High quality graphics display of results assists analysis. The Workbench interfaces to three leading quantum programs Mopac, Gaussian92/DFT, and CASTEP.
Brenda Pfeiffer
Director, Marketing Communications
Molecular Simulations Inc.
9685 Scranton Road
San Diego, CA 92121-3752
USA
619-546-5319
619-458-0136 (fax)
blp@msi.com
For applications in related solution areas, see the following indices:
Chemical Engineering,
Computational Chemistry,
Molecular Modeling,
Visual Simulation, the developer index for Molecular Simulations Inc.
and the product category index for Chemistry, Biochem, Biotechnology.