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Non-Covalent Interactions in Organic Crystals, and the Calibration of Empirical Force Fields

  • A. Gavezzotti
  • G. Filippini
Part of the NATO ASI Series book series (ASIC, volume 426)

Abstract

The few principles presently available on the general rules that control the crystal packing of organic molecules are briefly reviewed. The empirical formulations for the calculation of crystal energies are examined. An optimized force field of rather general applicability is introduced and discussed.

Keywords

Force Field Cambridge Structural Database Symmetry Operator Organic Crystal Full Molecular Dynamic 
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 Science+Business Media Dordrecht 1994

Authors and Affiliations

  • A. Gavezzotti
    • 1
  • G. Filippini
    • 1
  1. 1.Dipartimento di Chimica Fisica ed Elettrochimica e Centro CNRUniversita di MilanoMilanoItaly

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