Theoretical and Computational Inorganic Chemistry

Hardcover | October 14, 2010

byRudi Van EldikEditorJeremy Harvey

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The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is fully referenced. * Features comprehensive reviews on the latest developments * Includes contributions from leading experts in the field * Serves as an indispensable reference to advanced researchers

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The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advan...

Rudi van Eldik was born in Amsterdam (The Netherlands) in 1945 and grew up in Johannesburg (South Africa). He received his chemistry education and DSc degree at the former Potchefstroom University (SA), followed by post-doctoral work at the State University of New York at Buffalo (USA) and the University of Frankfurt (Germany). After c...

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Format:HardcoverDimensions:536 pages, 9 × 6 × 0.98 inPublished:October 14, 2010Publisher:Academic PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:012380874X

ISBN - 13:9780123808745

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Table of Contents

Advances in Inorganic Chemistry, v62

Table of Contents

  1. Molecular Mechanics for Transition Metal Centres: From Coordination Complexes to Metalloproteins
  2. Robert J. Deeth

  3. Calculation of Magnetic Circular Dichroism Spectra With Time-Dependent Density Functional Theory
  4. Tom Ziegler& Michael Seth

  5. Theoretical investigation of solvent effects and complex systems.
  6. Barbara Kirchner, Marc Br¨ussel, Stefan Zahn & E. Hey-Hawkins

  7. Simulations of Liquids and Solutions Based on Quantum Mechanical Forces
  8. Bernd M. Rode, Thomas S. Hofer, Andreas B. Pribil & Bernhard R. Randolf

  9. Spin Interactions in Cluster Chemistry
  10. Markus Reiher & Maren Podewitz

  11. Inner- and Outer-Sphere Hydrogenation Mechanisms: A Computational Perspective
  12. Agustí Lledós, Aleix Comas-Vives & Gregori Ujaque

  13. Computational studies on properties, formation and complexation of M(II)-porphyrins
  14. Tatyana E. Shubina

  15. Dealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective: Reaction Pathways, Bonding, Spectroscopy and Magnetic Properties
  16. Frank Neese, William Ames, Gemma Christian, Mario Kampa, Dimitrios G. Liakos,

    Dimitrios A. Pantazis, Michael Roemelt, Panida Surawatanawong & Shengfa Ye

  17. Vibronic Coupling in Inorganic Systems: Photochemistry, Conical Intersections, and the Jahn-Teller and Pseudo-Jahn-Teller Effects
  18. Martin J. Paterson, Russell G. Mckinlay & Justyna M. { urek

  19. Elementary reactions in polynuclear ions and aqueous-mineral interfaces: a new geology.
  20. James R. Rustad

  21. The Aromatic Amino Acid Hydroxylase Mechanism: A Perspective From Computational Chemistry - Elaine Olsson, Knut Teigen, Aurora Martinez and Vidar R. Jensen