|
MODERN METHODS FOR MULTIDIMENSIONAL DYNAMICS COMPUTATIONS IN CHEMISTRY
Edited by Donald L. Thompson
(World Scientific, Singapore, 1998).
CONTENTS
Preface
Computational Methods for Polyatomic Bimolecular Reactions
(George C. Schatz, Marc Ter Horst, and Toshiyuki Takayanagi)
Nonadiabatic Dynamics
(John C. Tully)
Methods of Gas-Surface Scattering
(Bret Jackson)
Molecular Dynamics Methods for Studying Liquid Interfacial Phenomena
(I. Benjamin)
Direct Dynamics Simulations of Reactive Systems
(Kim Bolton, William L. Hase, and Gilles H. Peslherbe)
Mapping Multidimensional Intramolecular Dynamics Simulations of Reactive systems
(Jan von Milczewski and T. Uzer)
Quantum Generalized Langevin Equation Approach to Multidimensional Dynamics
(H. Keith McDowell)
Quantum Molecular Dynamics Simulations of Processes in Large Clusters: Methods and Applications
(R. B. Gerber, P. Jungwirth, E. Fredj, and A. Y. Rom)
Theoretical Investigations of Chemical and Physical Processes Under Matrix Isolation Conditions
(Lionel M. Raff)
Macromolecular Dynamics
(R. V. Stanton, J. L. Miller, and P. A. Kollman)
Molecular Dynamics Simulations of Carbohydrate Solvation
(J. W. Brady)
Computational Simulation and Modeling of Molecular-Based Materials
(Bobby J. Sumpter, Robert E. Tuzun, and Donald W. Noid)
Molecular Simulation of Detonation
(Betsy M. Rice)
Monte Carlo Methods in Chemistry: A Tutorial
(J. D. Doll and David L. Freeman)
Monte Carlo Methods for Rate Processes
(Alison J. Marks)
Testing the Accuracy of Practical Semiclassical Methods: Variational Transition State Theory with Optimized Multidimensional Tunneling
(Thomas C. Allison and Donald G. Truhlar)
A Multidimensional Semiclassical Approach for Treating Tunneling Within Classical Trajectory Simulations
(Yin Guo and Donald L. Thompson)
| |
Donald L. Thompson's Theoretical Chemistry Group
