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Links in Category: 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.

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  1. Forum Statistics:

    • Links: 3
    • Posts: 0
  2. Companies

    Companies that offer consultancy services and software for use in computational chemistry

    Forum Statistics:

    • Links: 4
    • Posts: 0

    Schrödinger, LLC.

    by Medical Links 12-16-2014 05:06 AM
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    • Links: 4
    • Posts: 0

    NWChem

    by Medical Links 12-16-2014 05:06 AM
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    • Links: 14
    • Posts: 0
  5. Molecular Dynamics

    Molecular dynamics here deals with computer simulations that model atomic systems through Newtonian mechanics.

    Tutorials

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    • Links: 7
    • Posts: 0
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    • Links: 1
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    • Links: 2
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    Monte Carlo Simulation

    by Medical Links 12-16-2014 05:06 AM
  8. Forum Statistics:

    • Links: 14
    • Posts: 0

    Gupta, Vineet

    by Medical Links 12-16-2014 05:06 AM
  9. 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.

    Forum Statistics:

    • Links: 33
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  10. Forum Statistics:

    • Links: 4
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