Cargando…
Computational chemistry. reviews of current trends / Vol. 9 :
Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The re...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; Hackensack, NJ :
World Scientific,
©2005.
|
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Molecular electronics with gaussian98/03
- Molecular dynamics simulations of single molecule 47 atomic force microscope experiments
- Molecular dynamics simulations of a molecular 85 electronics device: The nanoCell
- Computation of excited state potential energy surfaces 121 via linear response theories based on state specific multi-reference coupled electron-pair approximation like methods
- Modelling of Anisotropic exchange coupling in 153 rare-earth-transition-metal pairs: applications to Yb3+-Mn2+ and Yb3+-Cr3+ halide clusters and implications to the light up-conversion
- Is a Dihydrogen bond a unique phenomenon?