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What would be the ideal chemistry program?

  1. Oct 21, 2004 #1
    What would be the ideal chemistry program?

    What would it do? What would it have?
  2. jcsd
  3. Oct 22, 2004 #2
    A chemistry program to do what? Drawing? Calculations? There are many of them. Here are a few of them:

    Gaussian and Hyperchem are the softwares to make simulations for the molecules. Hyperchem is relatively easy one and used to generate semi-emprical calculations such as AM1 and PM3. The main purpose is to get an idea about the reaction and related products and/or intermediates...

    Gaussian is more complicated than Hyperchem. You can conduct ab initio calculations with this one. Many theoretical chemists use this to do scientific studies.

    Another one is RasMol where one can generate molecular structure views. This one is -as far as I know- freeware.

    Other than these, for drawing, as well known, ChemOffice products are widely used. Or as a freeware, ChemSketch could be preferred for simple usages.

    As I said these are just a few... And as we know from chemistry, "there is no ideal" :)
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