C2*Catalysis and Separation Workbench

• Catalysis and Separation Workbench is a package of modules and computational instruments for the study of catalysis and separating agents. Building tools allow the easy construction of models and crystals, surfaces and molecular species. The geometry, energetics and interactions critical to catalytic processes can be easily investigated. Force field parameterizations such as the Universal Force Field support the study of organometallic catalysts. The workbench is also ideal for looking at zeolites and other molecular sieves. Gas adsorption can be investigated using the C2*Sorption instrument. The structure of crystalline catalysis can be determined through the interpretaion of diffraction and HRTEM data.

Steve Herbert

Vice President, Marketing
Molecular Simulations, Inc.
16 New England Executive Park
Burlington, MA 01803-5297
USA
617-229-9800
fax:617-229-9899
sherbert@msi.com