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Author:   A. Veillard
Publisher:   Springer
Imprint:   Kluwer Academic Publishers
Edition:   1986 ed.
Volume:   176
Dimensions:   Width: 15.50cm , Height: 3.00cm , Length: 23.50cm
Weight:   2.060kg
ISBN:  

9789027722379

ISBN 10:   9027722374
Pages:   530
Publication Date:   31 May 1986
Audience:   College/higher education ,  Professional and scholarly ,  Postgraduate, Research & Scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print  
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Table of Contents

Accurate Studies on the Structure and Reactivity of Transition Metal Complexes and Clusters.- The Importance of Atomic and Molecular Correlation on the Bonding in Transition Metal Compounds.- The Electronic Structure of Transition Metal Atoms and Diatoms Through Pseudopotential Approaches.- Spectroscopic Characterization of Bonding in Diatomics and Small Transition Metal Aggregates.- Low-Lying Electronic States of ScH, tih and VH According to MRD-CI Calculations.- Energy-Adjusted Pseudopotentials For Transition-Metal Elements.- Spectroscopic Studies of Copper Complexes.- Scandium atom Interacting with Diatomic Groups.- The Nature of the Bonding in the Transition Metal Trimers.- Electronic Structure and Reactions of Transition Metal Complexes Using Effective Core Potentials.- Correlation Effects in the Ground and Ionized States of Transition Metal Complexes.- Analysis of ?-Bonding, ?-(Back) Bonding and the Synergic Effect in Cr(Co)6. Comparison of Hartree-Fock and X? Results for Metal-Co Bonding.- Applications of the LCGTO-X? Method to Transition Metal Carbonyls.- Quantitative Results and Qualitative Analysis by the Hartree-Fock-Slater Transition State Method.- X? Electronic Structure of Transition Metal Halides: Calculation of Ligand-Field Multiplet States.- Complementary Spherical Electron Density Model for Coordination and Organometallic Compounds.- Theoretical Analysis of Bonding Properties in Transition Metal Complexes. Ligand Substitution Effects.- Topology of Potential Energy Surfaces: The Complementarity of MO and VB Approaches.- Applied mo Theory: Organometallic Structure and Reactivity Problems.- CO Activation and Reactivity in Organometallic Chemistry: Theoretical Studies.- Structural Distortions and Activation of A C-H Bond in D° Electron DeficientAlkyl Transition Metal Complexes.- Stereochemistry and Metal-Ligand Interaction of Group VIII Low-Valent Transition Metal Complexes. An Ab Initio MO and Energy Decomposition Analysis Study.- Stabilization of Phosphinidene and Phosphirene by Complexation on Phosphorus. Theoretical and Photo-Electron Studies.- Molecular Orbital Calculations on Metallocenes with Unusual Geometries.- Transition State for Carbonyl and Olefin Insertion Reactions.- Theoretical Aspects of the Photochemistry of Organo-Metallics.- Electronic Structure of Metalloporphyrins: Ab Initio CI Calculations.- Multiple Metal-Metal and Metal-Carbon Bonds.- Design of Ferromagnetically Coupled Polymetallic Systems: Toward the Molecular Ferromagnets.- A Spectroscopic and Magnetic Investigation of M4X4 Clusters: Localized or Itinerant Electrons?.- Moving from Discrete Molecules to Extended Structures: A Chemical and Theoretical Approach to the Solid State.- Cluster-Surface Analogy: New Developments.- Cluster Model Calculations of the Interaction of H and CO with Small Pd Clusters.- Theoretical Study on the Catalytic Activities of Palladium for the Hydrogenation Reaction of Acetylene.- Theoretical Study of the Successive Hydrogenation of Small Platinum Clusters.- Participants.

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