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Non-Empirical Calculations of Intermolecular Forces Between Organic Molecules

  • Alexander J. Pertsin
  • Alexander I. Kitaigorodsky
Part of the Springer Series in Chemical Physics book series (CHEMICAL, volume 43)

Abstract

In the last twenty years considerable progress has been made in the non-empirical quantum-mechanical calculations of intermolecular interaction energies. For the most part, this progress was due to the appearance of highspeed computers which permitted the manipulation of very complicated wave functions. The most reliable theoretical results were actually obtained using formalisms suggested long ago.

Keywords

Interaction Energy Valence Bond Lattice Energy Electrostatic Energy Multipole Moment 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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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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