Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations

  1. Kenny B. Lipkowitz,
  2. Donald B. Boyd
  1. Gernot Frenking,
  2. Iris Antes,
  3. Marlis Böhme,
  4. Stefan Dapprich,
  5. Andreas W. Ehlers,
  6. Volker Jonas,
  7. Arndt Neuhaus,
  8. Michael Otto,
  9. Ralf Stegmann,
  10. Achim Veldkamp,
  11. Sergei F. Vyboishchikov

Published Online: 5 JAN 2007

DOI: 10.1002/9780470125854.ch2

Book Title

Reviews in Computational Chemistry, Volume 8

Reviews in Computational Chemistry, Volume 8

Additional Information

How to Cite

Frenking, G., Antes, I., Böhme, M., Dapprich, S., Ehlers, A. W., Jonas, V., Neuhaus, A., Otto, M., Stegmann, R., Veldkamp, A. and Vyboishchikov, S. F. (2007) Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations, in Reviews in Computational Chemistry, Volume 8 (eds K. B. Lipkowitz and D. B. Boyd), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470125854.ch2

Author Information

  1. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse, D-35032 Marburg, Germany

Publication History

  1. Published Online: 5 JAN 2007
  2. Published Print: 1 JAN 1996

ISBN Information

Print ISBN: 9780471186380

Online ISBN: 9780470125854

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Keywords:

  • transition metal compounds;
  • pseudopotential calculations;
  • methyl & phenyl compounds;
  • chelate complexes;
  • alkyne & vinylidene complexes

Summary

This chapter contains sections titled:

  • Introduction

  • General Rules for Calculating Transition Metal Complexes with ECP Methods

  • Results and Discussion of Selected Examples

  • Conclusion and Outlook

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