Topics: Chemistry : Computational
Computational chemistry involves the use of computers to investigate the structure and properties of atoms, molecules, and molecular aggregates. There is great overlap and some confusion between the disciplines commonly called "computational chemistry", "molecular modeling", and "theoretical chemistry". To simplify, all of these are grouped under the computational chemistry ODP category, except for some sites that go to Science/Chemistry/Physical.
Companies
Companies that offer consultancy services and software for use in computational chemistry
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Molecular Dynamics
Molecular dynamics here deals with computer simulations that model atomic systems through Newtonian mechanics.
Tutorials,
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Research Groups
Web pages of research groups in computational chemistry. Groups with one principal investigator are listed under the name of the principal investigator; larger groups are listed under the name of the institution or department.
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Structure and Image Repositories