Cerius2 Catalysis and Separations Workbench predicts properties critical to catalysts and separating agents. These include the molecular geometry, energetics, and dynamic behavior of homogeneous catalysts; and the crystal structure, gas adsorption properties, and interaction with organic molecules of molecular sieves. Force fields such as the Universal Force Field enable the study of organometallics and inorganics. Simulation tools are integrated with structure libraries and modules to interpret diffraction, EXAFS, and HRTEM data.
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: Catalyst Design, Computational Chemistry, Computer-Aided Molecular Design, Industrial R&D, Molecular Modeling, Simulation, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
