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S & T - Computational Chemistry
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Beckman Institute, Caltech
The Materials and Molecular Simulation Center is an industry-academic setup for molecular
and process simulation of a variety of computational systems.
Carl Melius Molecule
Here you'll find a random sampling of Gaussian '92 archive entries.
CAUT Computational Chemistry project
A joint effort in developing computational chemistry courses for the Web.
Chemistry--Automated Archive of Mailing Lists
This searchable and more comprehensive automated archive accepts email entries.
Erlangen Computational Chemistry
Research topics are listed by substance class, physical property, methods, projects and
Fritz Haber Center for Molecular Dynamics Research
This lab puts an emphasis on condensed phase dynamics, including the study of clusters and
This free package includes both semi-empirical and ab initio methods, plus graphics codes.
Gaussian '92 Water
Do-it-yourself quantum chemistry. Run a calculation on a single water molecule.
Find quantum inelastic scattering and photodissociation code here.
Joint Institute for Molecular-Based
Engineering and Science
The Molecular-Based Study of Fluids and Amorphous Materials Using Parallel Supercomputers
is working on the development of new molecular simulation codes.
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