Modern Methods for Multidimensional Dynamics Computations in Chemistry
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.
What people are saying - Write a review
Methods for GasSurface Scattering
Molecular Dynamics Methods for Studying Liquid Interfacial Phenomena
Direct Dynamics Simulations of Reactive Systems
Mapping Multidimensional Intramolecular Dynamics Using
Quantum Molecular Dynamics Simulations of Processes in Large
Theoretical Investigations of Chemical and Physical Processes
Molecular Dynamics Simulations of Carbohydrate Solvation
Computational Simulation and Modeling of MolecularBased Materials
Molecular Simulation of Detonation
Monte Carlo Methods for Rate Processes
A Multidimensional Semiclassical Approach for Treating Tunneling