Theoretical and Computational Approaches to Interface Phenomena
[Book]
edited by Harrell Lee Sellers, Joseph Thomas Golab.
Boston, MA :
Imprint: Springer,
1994.
Reaction Path Approach to Dynamics at a Gas-Solid Interface: Quantum Tunneling Effects for an Adatom on a non-rigid Metallic Surface -- Catalysis Modeling Employing Ab Initio and Bond Order Conservation - Morse Potential Methods -- Computer Simulations of Excitable Reaction-Diffusion Systems -- Molecular Dynamics Computer Simulations of Charged Metal Electrode - Aqueous Electrolyte Interfaces -- Molecular Dynamics Computer Simulations of Aqueous Solution/Platinum Interface -- Diffusion Mechanisms of Flexible Molecules on Metallic Surfaces -- Computer Simulation of Solvation in Supercritical Fluids -- Structure-Function Modeling in Blood Coagulation: Interfaces, Biology and Chemistry -- Domains and Superlattices in Self-Assembled Monolayers of Long-Chain Molecules -- Manipulating Wetting and Ordering at Interfaces by Adsorption of Impurities -- Density Functional Description of Metal-Metal and Metal-Ligand Bonds -- Density Functional Studies of Boron Substituted Zeolite ZSM-5.