Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry [E-Book] / edited by A. Veillard.
Veillard, A., (editor)
Dordrecht : Springer, 1986
IX, 530 p. online resource.
englisch
9789400946569
10.1007/978-94-009-4656-9
NATO ASI Series, Series C: Mathematical and Physical Sciences ; 176
Full Text
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 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.