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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...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, NJ :
World Scientific,
©1998.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Computational methods for polyatomic bimolecular reactions / George C. Schatz, Marc Ter Horst, and Toshiyuki Takayanagi
- Nonadiabatic dynamics / John C. Tally
- Methods for 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. Hose, and Gilles H. Peslherbe
- Mapping multidimensional intramolecular dynamics using frequency analysis / 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 G. 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.