edited by Donald L Thompson (Oklahoma State University)

This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.

The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other “novices” who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.

• Computational Methods for Polyatomic Bimolecular Reactions (G C Schatz et al.)
• Nonadiabatic Dynamics (J C Tully)
• Methods for Gas-Surface Scattering (B Jackson)
• Molecular Dynamics Methods for Studying Liquid Interfacial Phenomena (I Benjamin)
• Direct Dynamics Simulations of Reactive Systems (K Bolton et al.)
• Mapping Multidimensional Intramolecular Dynamics Using Frequency Analysis (J von Milczewski & T Uzer)
• Quantum Generalized Langevin Equation Approach to Multidimensional Dynamics (H K McDowell)
• Quantum Molecular Dynamics Simulations of Processes in Large Clusters: Methods and Applications (R B Gerber et al.)
• Theoretical Investigations of Chemical and Physical Processes Under Matrix Isolation Conditions (L M Raff)
• Macromolecular Dynamics (R V Stanton et al.)
• Molecular Dynamics Simulations of Carbohydrate Solvation (J W Brady)
• Computational Simulation and Modeling of Molecular-Based Materials (B G Sumpter et al.)
• Molecular Simulation of Detonation (B M Rice)
• Monte Carlo Methods in Chemistry: A Tutorial (J D Doll & D L Freeman)
• Monte Carlo Methods for Rate Processes (A J Marks)
• Testing the Accuracy of Practical Semiclassical Methods: Variational Transition State Theory with Optimized Multidimensional Tunneling (T C Allison & D G Truhlar)
• A Multidimensional Semiclassical Approach for Treating Tunneling Within Classical Trajectory Simulations (Y Guo & D L Thompson)