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Theoretical methods in condensed phase chemistry /
Annotation
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Dordrecht ; Boston :
Kluwer Academic Publishers,
©2000.
|
| Colección: | Progress in theoretical chemistry and physics ;
v. 5. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Classical and quantum rate theory for condensed phases / Eli Pollak
- The GLE as a paradigm of condensed phase systems
- Variational rate theory
- Turnover theory
- Quantum rate theory
- Feynman path centroid dynamics / Gregory A. Voth
- The centroid distribution function
- Exact formulation of centroid dynamics
- The centroid molecular dynamics approximation
- Some applications of centroid molecular dynamics
- Proton transfer in condensed phases: beyond the quantum Kramers paradigm / Dimitri Antoniou, Steven D. Schwartz
- Calculation of quantum transfer rates
- Rate promoting vibrations
- Position-dependent friction
- Effect of low-frequency modes of the environment
- Nonstationary stochastic dynamics and applications to chemical physics / Rigoberto Hernandez, Frank L. Somer, Jr.
- Nonstationary stochastic models
- Application to polymer systems
- Application to protein folding
- Orbital-free kinetic-energy density functional theory / Yan A. Wang, Emily A. Carter
- The Thomas-Fermi model and extensions
- The von Weizsacker model and extensions
- Correct response behavior
- Nonlocal density approximations
- Numerical implementations
- Applications and future prospects
- Semiclassical surface hopping methods for nonadiabatic transitions in condensed phases / Michael F. Herman
- Semiclassical surface-hopping methods for nonadiabatic problems
- Numerical calculations of vibrational population relaxation
- Mechanistic studies of solvation dynamics in liquids / Branka M. Ladanyi.