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Quantum chemistry : the challenge of transition metals and coordination chemistry

Author: A Veillard; North Atlantic Treaty Organization. Scientific Affairs Division.; Société de chimie physique. International Meeting
Publisher: Dordrecht ; Boston : D. Reidel Pub. Co. ; Hingham, MA, U.S.A. : Sold and distributed in the U.S.A. and Canada by Kluwer Academic Publishers, ©1986.
Series: NATO ASI series., Series C,, Mathematical and physical sciences ;, no. 176.
Edition/Format:   Print book : Conference publication : EnglishView all editions and formats
Database:WorldCat
Summary:

Proceedings of the NATO Advanced Research Workshop (40th International Meeting of the Societe de Chimie Physique), Strasbourg, France, September 16-20, 1985

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Genre/Form: Conference papers and proceedings
Congresses
Material Type: Conference publication
Document Type: Book
All Authors / Contributors: A Veillard; North Atlantic Treaty Organization. Scientific Affairs Division.; Société de chimie physique. International Meeting
ISBN: 9027722374 9789027722379
OCLC Number: 13329726
Notes: "Published in cooperation with NATO Scientific Affairs Division."
Description: ix, 530 pages : illustrations ; 25 cm.
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 Deficient Alkyl 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.
Series Title: NATO ASI series., Series C,, Mathematical and physical sciences ;, no. 176.
Responsibility: edited by A. Veillard.
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