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.
Jo Ellen Collins
Dir., Inside Sales/Mar Com
Molecular Simulations, Inc.
16 New England Executive Park
Burlington, MA 01803
USA
617-229-9800
617-229-9899 (fax)
jcollins@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 Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
