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Conformation of Constituents in Molecular Crystals

  • Massimo Simonetta
Part of the Nato Advanced Study Institutes Series book series (volume 9)

Abstract

Molecular Mechanics (also known as empirical force field calculations) is a terms which covers empirical methods for the calculation of molecular energies (or transition states, or molecular crystals) for given geometries. The earliest application of the method was due to Westheimer (1) who studied the influence of steric effects on the rate of racemisation of substitued biphenyls.

Keywords

Bond Length Force Field Force Constant Bond Order Twist Angle 
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

© Plenum Press, New York 1975

Authors and Affiliations

  • Massimo Simonetta
    • 1
  1. 1.Instituto di Chimica FisicaUniversita di MilanoMilanoItaly

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