E-Book Overview
J. Autschbach: The Calculation of NMR Parameters in Transition Metal Complexes.- A. Rosa, G. Ricciardi, O. Gritsenko, E.J. Baerends: Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- G. Ujaque, F. Maseras: Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- J.N. Harvey: DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.
E-Book Content
112 Structure and Bonding Series Editor: D.M.P. Mingos
Editorial Board: A.J. Bard · P. Day · J.A. Ibers · T.J. Meyer · H.W. Roesky J.-P. Sauvage · F. Wudl
Structure and Bonding Recently Published and Forthcoming Volumes
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Volume Editor: Schnherr, T. Vol. 106, 2004 Group 13 Chemistry III Industrial Applications
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Supramolecular Assembly via Hydrogen Bonds II Volume Editor: Mingos, D.M.P. Vol. 111, 2004
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Applications of Evolutionary Computation in Chemistry Volume Editor: Johnston, R.L. Vol. 110, 2004
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Volume Editors: Roesky, H.W., Atwood, D.A. Vol. 103, 2002
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Volume Editor: Prassides, K. Vol. 109, 2004 Supramolecular Assembly via Hydrogen Bonds I Volume Editor: Mingos, D.M.P. Vol. 108, 2004
High Performance Non-Oxide Ceramics II Volume Editor: Jansen, M. Vol. 102, 2002 High Performance Non-Oxide Ceramics I Volume Editor: Jansen, M. Vol. 101, 2002 p-Electron Magnetism
Optical Spectra and Chemical Bonding in Transition Metal Complexes Special Volume II dedicated to Professor Jørgensen
Volume Editor: Schnherr, T. Vol. 107, 2004
From Molecules to Magnetic Materials
Volume Editor: Veciana, J. Vol. 100, 2001
Principles and Applications of Density Functional Theory in Inorganic Chemistry I Volume Editors: N. Kaltsoyannis · J.E. McGrady
With contributions by J. Autschbach · E.J. Baerends · O. Gritsenko · J.N. Harvey F. Maseras · G. Ricciardi · A. Rosa · G. Ujaque
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table. It focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. As a rule, contributions are specially commissioned. The editors and publishers will, however, always be pleased to receive suggestions and supplementary information. Papers are accepted for Structure and Bonding in English. In references Structure and Bonding is abbreviated Struct Bond and is cited as a journal.
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