Chapter 11. Molecular Dynamics and NMR Parameter Calculations

  1. Prof. Dr. Martin Kaupp3,
  2. Dr. Michael Bühl Priv. Doz.4 and
  3. Dr. Vladimir G. Malkin DrSc.5
  1. Debra J. Searles1 and
  2. Hanspeter Huber2

Published Online: 9 JUN 2004

DOI: 10.1002/3527601678.ch11

Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

How to Cite

Searles, D. J. and Huber, H. (2004) Molecular Dynamics and NMR Parameter Calculations, in Calculation of NMR and EPR Parameters: Theory and Applications (eds M. Kaupp, M. Bühl and V. G. Malkin), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527601678.ch11

Editor Information

  1. 3

    Institute of Inorganic Chemistry, University of Würzburg, Am Hubland, 97074 Würzburg, Germany

  2. 4

    Max-Planck-Institute for Coal Research, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany

  3. 5

    Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, SK-84536 Bratislava, Slovak Republic

Author Information

  1. 1

    School of Science, Griffith University, Brisbane, Qld 4111, Australia

  2. 2

    Department of Chemistry, The University of Basel, Klingelbergstr. 80, 4056 Basel, Switzerland

Publication History

  1. Published Online: 9 JUN 2004
  2. Published Print: 25 MAY 2004

ISBN Information

Print ISBN: 9783527307791

Online ISBN: 9783527601677

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Keywords:

  • NMR parameter calculations;
  • molecular dynamics

Summary

This chapter contains sections titled:

  • Introduction

  • Methods

  • Examples

  • Summary and Conclusions