Chapter 4. Theoretical Chemistry of Gold – From Atoms to Molecules, Clusters, Surfaces and the Solid State

  1. Prof. Dr. Fabian Mohr
  1. Peter Schwerdtfeger and
  2. Matthias Lein

Published Online: 22 JUN 2009

DOI: 10.1002/9783527626724.ch4

Gold Chemistry: Applications and Future Directions in the Life Sciences

Gold Chemistry: Applications and Future Directions in the Life Sciences

How to Cite

Schwerdtfeger, P. and Lein, M. (2009) Theoretical Chemistry of Gold – From Atoms to Molecules, Clusters, Surfaces and the Solid State, in Gold Chemistry: Applications and Future Directions in the Life Sciences (ed F. Mohr), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527626724.ch4

Editor Information

  1. Bergische Universität Wuppertal, Fachbereich C, Anorganische Chemie, Gaußstraße 20, 42119 Wuppertal, Germany

Author Information

  1. Center of Theoretical Chemistry and Physics (CTCP), The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, North Shore City, 0745 Auckland, New Zealand

Publication History

  1. Published Online: 22 JUN 2009
  2. Published Print: 18 MAR 2009

ISBN Information

Print ISBN: 9783527320868

Online ISBN: 9783527626724

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Keywords:

  • gold chemistry;
  • theoretical chemistry;
  • clusters;
  • surfaces;
  • solid state;
  • organometallic gold compounds

Summary

This chapter contains sections titled:

  • Introduction

  • The Origin of the Relativistic Maximum at Gold Along the 6th Period of Elements in the Periodic Table

  • Calculations on Atomic Gold

  • Relativistic Methods for Molecular Calculations and Diatomic Gold Compounds

  • Calculations on Inorganic and Organometallic Gold Compounds

  • Calculations on Gold Clusters

  • Calculations on Infinite Systems: from Surfaces to the Solid State of Gold

  • Summary

  • Acknowledgment

  • References