Cluster Models for Surface and Bulk Phenomena

Table of Contents

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   Book Overview
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   Chapter 1 Subshells, Shells and Supershells in Metal Clusters
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   Chapter 2 In Situ Observation of Surface Chemistry, Growth and Nucleation of Ultrafine Particles in Gas Suspension
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   Chapter 3 High Temperature Molecular Dynamics Studies of Cluster Growth and Polymer Degradation
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   Chapter 4 RPA Description of Optical Properties of Sodium Microclusters
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   Chapter 5 Thermionic Emission of Free Tantalum Clusters
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   Chapter 6 Stability and Energetics of Elemental Microclusters: Empirical Many-Body Potential Energy Function Calculations for Bcc Elements
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   Chapter 7 Magnetic Properties of Free Iron and Cobalt Clusters
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   Chapter 8 Classical Molecular Dynamics Simulation of Small Metal Clusters
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    Chapter 9 Dynamics of Carbon Clusters: Buckminsterfullerene
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    Chapter 10 Clustering of Metals on Semiconductors Surfaces: Relation to Metallicity, Surface Diffusion, Growth Modes and Schottky Barriers
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    Chapter 11 Photoemission Studies of Supported Metal Clusters, the Early Years
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    Chapter 12 Metal Clusters and Particles as Catalyst Precursors and Catalysts
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    Chapter 13 Physical and Chemical Properties of High-Nuclearity Metal-Cluster Compounds: Model Systems for Small Metal Particles
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    Chapter 14 Photoelectron Spectroscopy Applied to Molecular Clusters and Surface Clusterization Processes
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    Chapter 15 Photoemission from Size-Selected Pt-Clusters Deposited on Silver Films
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    Chapter 16 Pauli Repulsion Effects in Scattering from and Catalysis by Surfaces
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    Chapter 17 Theory of Surface Clusters in External Fields: Influence of Multipole Embedding on Local Adsorbate Binding
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    Chapter 18 Theory of Core-Level Shifts of Clean and Covered Surfaces
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    Chapter 19 Ionic Bonding of Adsorbates on Surfaces: Theoretical Characterization and Observable Consequences
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    Chapter 20 Chemisorption on Metal Surfaces: Cluster Model Investigations Based on the LCGTO-LDF Method
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    Chapter 21 The Use of the Cluster Model for the Calculation of Chemisorption Energetics
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    Chapter 22 Band and Cluster Models for Alkali-Semiconductor Surfaces
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    Chapter 23 Comments on the Cluster Approach to Chemisorption
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    Chapter 24 CO Chemisorption on Oxide Surfaces: Bonding and Vibrations
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    Chapter 25 Adsorption Sites on Pd (110): Bridge and On- Top CO
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    Chapter 26 Bonding of Metals to Si(111): A Study of Chemisorption
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    Chapter 27 Inverse Photoemission and Other Empty-State Techniques
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    Chapter 28 Electrochemical Contact Adsorption Site Changes Driven by Field and Charge: Fact and Theory
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    Chapter 29 Theoretical Studies of Surface Reactions on Metals: Cluster and Embedding Theory
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    Chapter 30 The Chemisorption Dynamics of Hydrogen on Metal Surfaces
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    Chapter 31 Quantum Chemical Molecular Statics Applied to Diffusion of Ad-Atoms on Aluminium Surface
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    Chapter 32 Partial Optimization of Adsorbates on Clusters: Oxygen on Al(111)
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    Chapter 33 Ab Initio Calculations of Stationary Points on the Potential Energy Surface and Determination of Kinetic Isotope Effects for the Reaction of CO with Cu 2 O
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    Chapter 34 Chemisorption and Magnetism: Interaction of H, C, N, O with Clusters Simulating the (100) Surface of Nickel
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    Chapter 35 Modeling Chemisorption Processes with Metal Cluster Systems: III. Model Thio-Alkyls on Gold Surfaces
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    Chapter 36 Model Studies of Chemisorption on Platinum Surfaces
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    Chapter 37 Theoretical Study of ReH 2
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    Chapter 38 X-Ray Photoelectron Spectroscopy of CuO and NiO Single Crystals
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    Chapter 39 Ab Initio Cluster Studies of La 2 CuO 4
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    Chapter 40 Cluster Approaches to Solid State Problems: Necessary Complements to Band Structure Considerations
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    Chapter 41 Ab Initio Embedded-Cluster Models of Local Defects in Crystals
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    Chapter 42 Ab Initio Studies on Zeolites and Related Catalysts
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    Chapter 43 Cluster Models for Condensed-Phase Electron Transfer Processes
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    Chapter 44 Beyond the Embedded-Cluster Approximation: An ab initio Treatment of Polarization Effects
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    Chapter 45 A Cluster Model of the Electronic Structure of Grain Boundaries with the Impurity Segregation and Particles Precipitation
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    Chapter 46 Luminescent Properties of CuLaO 2 Oxide
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    Chapter 47 Cluster Simulations of Amorfous Silicon, with and without an Impurity Boron Atom
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    Chapter 48 Quantum Mechanical Cluster Calculations of Solids: The ab initio Perturbed Ion Method
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    Chapter 49 Ab Initio Perturbed Ion Calculations on Oxo- and Fluoroperovskites
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    Chapter 50 Vibrational Properties of a Clustered Linear Atomic Chain with Substitutional Impurities
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    Chapter 51 Development of Sindo1 for Extended Systems
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    Chapter 52 Properties of Atoms and Chemical Nature of Bonds in Molecules, Clusters and Solids as Derived from a Topological Analysis of Theoretical or (and) Experimental Charge Densities
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    Chapter 53 LCAO Tight-Binding Calculation of the LDOS and The STM Image