Chapter 12. Use of Continuum Solvent Models in Magnetic Resonance Parameter Calculations

  1. Prof. Dr. Martin Kaupp2,
  2. Dr. Michael Bühl Priv. Doz.3 and
  3. Dr. Vladimir G. Malkin DrSc.4
  1. Ilaria Ciofini

Published Online: 9 JUN 2004

DOI: 10.1002/3527601678.ch12

Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

How to Cite

Ciofini, I. (2004) Use of Continuum Solvent Models in Magnetic Resonance 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.ch12

Editor Information

  1. 2

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

  2. 3

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

  3. 4

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

Author Information

  1. Laboratoire d'Electrochimie et Chimie Analytique, CNRS-UMR 7575, Ecole Nationale Supérieure, de Chimie de Paris, 11, Rue P. et M. Curie, 75231 Paris, France

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:

  • continuum solvent models;
  • features;
  • applications

Summary

This chapter contains sections titled:

  • Introduction

  • General Features of Continuum Models

  • Applications of Continuum Models to the Prediction of NMR Parameters

  • Applications of Continuum Models to the Prediction of EPR Parameters

  • Conclusions