Proceedings of the NATO Advanced Study Institute, held in Cetraro (CS) Italy, from 1-12 September 1998
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Inhaltsangabe
The Use of the Electron-Nucleus Hyperfine Interaction for Solution Structure Determination.- Modern Computational Approaches to Modeling Polynuclear Transition Metal Complexes.- Metal-Support Interaction in Catalysis.- Structure and Bonding of M(CO)5(H2O), M(CO)5(NH3) and M(CO)5(PH3) (M=Cr, Mo, W).- Molecules on Clean and Modified Oxide Surfaces.- Foundations of Ab Initio Theory and Applications to Chemisorption and Bulk Properties Using the Cluster Model Approach. From qualitative understanding to quantitative predictions..- Spectroscopic and Electrochemical Studies of Coordination of Organic Molecules to Gold Single Crystal Surfaces.- Ionic Adsorption and Co-Adsorption at Single Crystal Electrodes.- Potential Energy Surfaces of Metal-Ligand Interactions Obtained Using Density Functional Theory.- Band Theory: from Concepts to the LAPW Method.- Structures, Energetics, and Reactivity of Metal Clusters and Metal-Ligand Species in the Gas Phase. Review of Experimental techniques and future directions.- Theoretical Investigations of Silver Clusters and Silver-Ligand Systems.- Ab Initio Investigations of Chemical Reactions Influenced by Transition Metal Catalysts.- Concepts in Double Groups - Do we Really Understand them for Practical Applications? A pedagogical study..- Fractal power Spectrum at Catalytic Oxidation of HCOOH over supported Pd Catalyst. Experiment and Theory..- Reactions of Mo Atoms and Cations with NO: A Density Functional Study.- In Situ Mössbauer Study of Mixed-Valency Catalysts lor Methanol Oxidation.- Gas Separation by Adsorption: Molecular Simulation of Adsorption Properties of Zeolitic Materials.- Electronic Structure of Vanadia Systems: systematic Theoretical studies.- List of Participants.
The Use of the Electron-Nucleus Hyperfine Interaction for Solution Structure Determination.- Modern Computational Approaches to Modeling Polynuclear Transition Metal Complexes.- Metal-Support Interaction in Catalysis.- Structure and Bonding of M(CO)5(H2O), M(CO)5(NH3) and M(CO)5(PH3) (M=Cr, Mo, W).- Molecules on Clean and Modified Oxide Surfaces.- Foundations of Ab Initio Theory and Applications to Chemisorption and Bulk Properties Using the Cluster Model Approach. From qualitative understanding to quantitative predictions..- Spectroscopic and Electrochemical Studies of Coordination of Organic Molecules to Gold Single Crystal Surfaces.- Ionic Adsorption and Co-Adsorption at Single Crystal Electrodes.- Potential Energy Surfaces of Metal-Ligand Interactions Obtained Using Density Functional Theory.- Band Theory: from Concepts to the LAPW Method.- Structures, Energetics, and Reactivity of Metal Clusters and Metal-Ligand Species in the Gas Phase. Review of Experimental techniques and future directions.- Theoretical Investigations of Silver Clusters and Silver-Ligand Systems.- Ab Initio Investigations of Chemical Reactions Influenced by Transition Metal Catalysts.- Concepts in Double Groups - Do we Really Understand them for Practical Applications? A pedagogical study..- Fractal power Spectrum at Catalytic Oxidation of HCOOH over supported Pd Catalyst. Experiment and Theory..- Reactions of Mo Atoms and Cations with NO: A Density Functional Study.- In Situ Mössbauer Study of Mixed-Valency Catalysts lor Methanol Oxidation.- Gas Separation by Adsorption: Molecular Simulation of Adsorption Properties of Zeolitic Materials.- Electronic Structure of Vanadia Systems: systematic Theoretical studies.- List of Participants.
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