Theoretical and Computational Inorganic Chemistry ( Volume 62 )

Publication series ：Volume 62

Author： Eldik   Rudi van;Harvey   Jeremy  

Publisher： Elsevier Science‎

Publication year： 2010

E-ISBN: 9780123808752

P-ISBN(Paperback): 9780123808745

P-ISBN(Hardback):  9780123808745

Subject： O61 Inorganic Chemistry

Language： ENG

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Description

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

Chapter

Cover

pp.：  1 – 2

Advances in Inorganic Chemistry

pp.：  2 – 5

Copyright

pp.：  5 – 6

Contents

pp.：  6 – 10

List of Contributors

pp.：  10 – 12

Preface

pp.：  12 – 14

Molecular Mechanics for Transition Metal Centers:From Coordination Complexes to Metalloproteins

pp.：  14 – 54

Calculation of Magnetic Circular Dichroism SpectraWith Time-Dependent Density Functional Theory

pp.：  54 – 124

Theoretical Investigation of Solvent Effects and Complex Systems: Towardthe calculations of bioinorganic systems from ab initio molecular dynamicssimulations and static quantum chemistry

pp.：  124 – 156

Simulations of Liquids and Solutions Basedon Quantum Mechanical Forces

pp.：  156 – 190

Spin Interactions in Cluster Chemistry

pp.：  190 – 244

Inner- and Outer-Sphere Hydrogenation Mechanisms:A Computational Perspective

pp.：  244 – 274

Computational Studies on Properties, Formation, and Complexationof M(II)-Porphyrins

pp.：  274 – 314

Dealing with Complexity in Open-Shell Transition Metal Chemistryfrom a Theoretical Perspective: Reaction Pathways, Bonding,Spectroscopy, and Magnetic Properties

pp.：  314 – 364

Vibronic Coupling in Inorganic Systems: Photochemistry,Conical Intersections, and the Jahn–Teller andPseudo-Jahn–Teller Effects

pp.：  364 – 404

Elementary Reactions in Polynuclear Ionsand Aqueous–Mineral Interfaces: A New Geology

pp.：  404 – 450

The Aromatic Amino Acid Hydroxylase Mechanism:A Perspective from Computational Chemistry

pp.：  450 – 514

Index

pp.：  514 – 528

Contents of Previous Volumes

pp.：  528 – 536

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