The Atom-Atom Potential Method

  • Alexander J. Pertsin
  • Alexander I. Kitaigorodsky
Part of the Springer Series in Chemical Physics book series (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.

Keywords

Enthalpy Amide Hydrocarbon Alkane Pyrimidine 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1987

Authors and Affiliations

  • Alexander J. Pertsin
    • 1
  • Alexander I. Kitaigorodsky
    • 1
  1. 1.Institute of Elemento-Organic CompoundsUSSR Academy of SciencesMoscowUSSR

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