[PDF.33vy] Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules (Nato Science Series C:)

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules (Nato Science Series C:)

[PDF.fh33] Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules (Nato Science Series C:)

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 | #9172881 in Books |  1989-06-30 | Original language:English | PDF # 1 |  .0 x.0 x.0l,.0 | File type: PDF | 452 pages

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The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of a few elementary processes. Howeve...

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