Chapter 10. Ro-Vibrational Corrections to NMR Parameters

  1. Prof. Dr. Martin Kaupp3,
  2. Dr. Michael Bühl Priv. Doz.4 and
  3. Dr. Vladimir G. Malkin DrSc.5
  1. Torgeir A. Ruden1 and
  2. Kenneth Ruud2

Published Online: 9 JUN 2004

DOI: 10.1002/3527601678.ch10

Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

How to Cite

Ruden, T. A. and Ruud, K. (2004) Ro-Vibrational Corrections to NMR Parameters, 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.ch10

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

    Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway

  2. 2

    Department of Chemistry, University of Tromsø, 9037 Tromsø, Norway

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 parameters;
  • ro-vibrational corrections;
  • perturbation theory;
  • vibrational contributions

Summary

This chapter contains sections titled:

  • Introduction

  • Perturbation Theory

  • Other Approaches for Calculating Vibrationally Averaged NMR Properties

  • Examples of Vibrational Contributions to NMR Properties

  • Summary