Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry [E-Book] / edited by A. Veillard.
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition meta...
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Full text |
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Personal Name(s): | Veillard, A., editor |
Imprint: |
Dordrecht :
Springer,
1986
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Physical Description: |
IX, 530 p. online resource. |
Note: |
englisch |
ISBN: |
9789400946569 |
DOI: |
10.1007/978-94-009-4656-9 |
Series Title: |
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NATO ASI Series, Series C: Mathematical and Physical Sciences ;
176 |
Subject (LOC): |
- 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.