Theoretical and Computational Approaches to Interface Phenomena

Many chemical processes that are important to society take place at boundaries between phases. Understanding these processes is critical in order for them to be subject to human control. The building of theoretical or computational models of them puts them into a theoretical framework in terms of wh...

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Bibliographic Details
Other Authors: Golab, J.T. (Editor), Sellers, H.L. (Editor)
Format: eBook
Language:English
Published: New York, NY Springer US 1994, 1994
Edition:1st ed. 1994
Subjects:
Online Access:
Collection: Springer Book Archives -2004 - Collection details see MPG.ReNa
Table of Contents:
  • 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