Chapter 29. DFT Calculations of EPR Hyperfine Coupling Tensors

  1. Prof. Dr. Martin Kaupp2,
  2. Dr. Michael Bühl Priv. Doz.3 and
  3. Dr. Vladimir G. Malkin DrSc.4
  1. Markéta L. Munzarová

Published Online: 9 JUN 2004

DOI: 10.1002/3527601678.ch29

Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

How to Cite

Munzarová, M. L. (2004) DFT Calculations of EPR Hyperfine Coupling Tensors, 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.ch29

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. National Centre for Biomolecular Research, Faculty of Sciences, Kotlárská 2, 61137 Brno, Czech Republic

Publication History

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

ISBN Information

Print ISBN: 9783527307791

Online ISBN: 9783527601677

SEARCH

Keywords:

  • EPR hyperfine coupling tensors;
  • DFT calculations

Summary

This chapter contains sections titled:

  • Introduction

  • Theoretical Background

  • The Performance of the Model

  • Concluding Remarks