C2Mopac

C2Mopac interfaces to all the features of the popular semi-empirical quantum code Mopac6. The module also accesses Mopac7 and Mopac93. You can study the structure and energetics of molecules and transition states, computing properties such as molecular orbitals and charges.

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: Computational Chemistry, Computational Mechanics, Molecular Modeling, Visual Simulation, Visualization, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.