Solid-Liquid Interface Theory

Preface ; PART 1: ELECTRONIC PROPERTIES OF THE METAL-SOLVENT INTERFACE ; 1. Electronic Structure Studies of the Interaction of Water with a Cu(100) Surface ; 2. Direct Dynamics Simulations of the Copper-Water Interface: Successes and Problems ; 3. Electronic Properties at a Metal-Solution Interface as Viewed by Solid-State NMR ; PART 2: MODELING REACTION RATES ; 4. Calculating Adiabatic Potential Energy Surfaces for Electrochemical Reactions ; 5. Modeling Metal Dissolution in Aqueous Electrolyte: Hartree-Fock and Molecular Dynamics Calculations ; 6. Electron Wave Packet Propagation Studies of Electron Transfer at the Semiconductor-Liquid Interface ; PART 3: OXIDES AT LIQUID-SOLID INTERFACES ; 7. An X-ray Diffraction Study of the Passive Oxide Film on Iron ; 8. Modeling Dynamic Properties of Mineral Surfaces ; 9. Molecular Statics Calculations of Acid-Base Reactions on Magnetite (001) ; 10. Electronic Structure and Chemical Reactivity of Metal Oxides-Water Interface ; 11. Modeling of Semiconductor-Electrolyte Interfaces with Tight-Binding Molecular Dynamics ; PART 4: ORGANIC LIQUID-SOLID INTERFACES ; 12. Structural and Dynamic Properties of Hexadecane Lubricants under Shear Flow in a Confined Geometry ; 13. Complete Spreading of Liquid Droplets on Heterogenous Substrates: Simulations and Experiments ; INDEXES ; Author Index ; Subject Index