inorganic chemistry

Calcium in Biological Systems
John Burgess and Emma Raven

New Developments in Synthetic Nitrogen
Fixation with Molybdenum and
Tungsten Phosphine Complexes
Ameli Dreher, Gerald Stephan and
Felix Tuczek

Chemistry of Metalated Container
Molecules
Berthold Kersting and Ulrike Lehmann

Mechanistic Considerations on the
Reactivity of Green FeIII-TAML
Activators of Peroxides
Alexander D. Ryabov and Terrence
J. Collins

Ligand Exchange Processes on the
Smallest Solvated Alkali and Alkaline
Earth Metal Cations: An
Experimental and Theoretical
Approach
Ralph Puchta, Ewa Pasgreta and Rudi
Van Eldik

Spin-State Changes and Reactivity in
Transition Metal Chemistry:
Reactivity of Iron Tetracarbonyl
Maria Besora, José-Luis Carreón-
Macedo, Álvaro Cimas and Jeremy
N. Harvey
INDEX

VOLUME 62

Molecular Mechanics for Transition Metal
Centers: From Coordination
Complexes to Metalloproteins
Robert J. Deeth

Calculation of Magnetic Circular
Dichroism Spectra With Time-
Dependent Density Functional Theory
Michael Seth and Tom Ziegler

Theoretical Investigation of Solvent Effects
and Complex Systems: Toward the
calculations of bioinorganic systems
fromab initiomolecular dynamics
simulations and static quantum
chemistry
Marc Brüssel, Stefan Zahn,
E. Hey-Hawkins and Barbara Kirchner

Simulations of Liquids and Solutions

Based on Quantum Mechanical

Forces

Thomas S. Hofer, Bernd M. Rode,

Andreas B. Pribil and Bernhard

R. Randolf

Spin Interactions in Cluster Chemistry

Maren Podewitz and Markus Reiher

Inner- and Outer-Sphere Hydrogenation

Mechanisms: A Computational

Perspective

Aleix Comas-Vives, Gregori Ujaque and

Agustí Lledós

Computational Studies on Properties,

Formation, and Complexation of

M(II)-Porphyrins

Tatyana E. Shubina

Dealing with Complexity in Open-Shell

Transition Metal Chemistry from a

Theoretical Perspective: Reaction

Pathways, Bonding, Spectroscopy,

and Magnetic Properties

Frank Neese, William Ames, Gemma

Christian, Mario Kampa, Dimitrios

G. Liakos, Dimitrios A. Pantazis, Michael

Roemelt, Panida Surawatanawong and

Shengfaye

Vibronic Coupling in Inorganic Systems:

Photochemistry, Conical Intersections,

and the Jahn–Teller and Pseudo-

Jahn–Teller Effects

Russell G. Mckinlay, Justyna M.Zurek ̇

and Martin J. Paterson

Elementary Reactions in Polynuclear

Ions and Aqueous–Mineral Interfaces:

A New Geology

James R. Rustad

The Aromatic Amino Acid Hydroxylase

Mechanism: A Perspective from

Computational Chemistry

Elaine Olsson, Knut Teigen, Aurora

Martinez and Vidar R. Jensen

INDEX

448 CONTENTS OF PREVIOUS VOLUMES