Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry

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