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
.Marketing Specialist
MSI
9685 Scranton Road
San Diego, CA 92121-2777
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, Simulation, Visual Simulation, the developer index for MSI and the market segment index for Chemistry, Biochem, Biotech, Materials.
