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The Atom-Atom Potential Method

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The Atom-Atom Potential Method

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 43))

Abstract

In this chapter we shall give a general outline of the atom-atom potential method and discuss the ways most frequently used to derive the atom-atom-potential parameters. A large number of parameter sets, which covers the most important atomic species encountered in organic compounds, is presented. In all cases we have indicated the particular compounds and physical properties used in fitting the parameters of a potential. We hope that this material will assist the reader in choosing the set best suited to the particular problem he is interested in.

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  1. Institute of Elemento-Organic Compounds, USSR Academy of Sciences, GSP-1, V-334, Vavilov 28, SU-117813, Moscow, USSR

    Dr. Alexander J. Pertsin & Professor Alexander I. Kitaigorodsky

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  1. Dr. Alexander J. Pertsin
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Pertsin, A.J., Kitaigorodsky, A.I. (1987). The Atom-Atom Potential Method. In: The Atom-Atom Potential Method. Springer Series in Chemical Physics, vol 43. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-82712-9_3

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  • DOI: https://doi.org/10.1007/978-3-642-82712-9_3

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