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Conformation of Constituents in Molecular Crystals

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Electronic Structure of Polymers and Molecular Crystals

Part of the book series: Nato Advanced Study Institutes Series ((ASIB,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.

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Author information

Authors and Affiliations

  1. Instituto di Chimica Fisica, Universita di Milano, Via Saldini, 50, 30133, Milano, Italy

    Massimo Simonetta

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  1. Massimo Simonetta
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Editors and Affiliations

  1. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires de Namur, Namur, Belgium

    Jean-Marie André

  2. Lehrstuhl für Theoretische Chemie, Technische Universität München, München, Deutschland

    János Ladik

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© 1975 Plenum Press, New York

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Simonetta, M. (1975). Conformation of Constituents in Molecular Crystals. In: André, JM., Ladik, J. (eds) Electronic Structure of Polymers and Molecular Crystals. Nato Advanced Study Institutes Series, vol 9. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0319-1_15

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  • DOI: https://doi.org/10.1007/978-1-4757-0319-1_15

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-0321-4

  • Online ISBN: 978-1-4757-0319-1

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