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Computational chemistry : reviews of current trends. Volume 6 /
There are strong indications that, in the 21st century, computational chemistry will be a prime research tool not only for the basic sciences but also for the life and materials sciences. Recent developments in nanotechnology allow us to detect a layer of single atoms. Researchers are able not only...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; Hong Kong :
World Scientific,
©2001.
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| Colección: | Computational chemistry ;
v. 6 |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 1. Relativistic multireference Moller-Plesset perturbation theory / Yasuyuki Ishikawa and Marius Jonas Vilkas
- 2. 15 years of Car-Parrinello simulations in physics, chemistry and biology / Ursula Rothlisberger
- 3. Methods of combined quantum/classical (QM/MM) modeling for large organometallic and metallobiochemical systems / Isaac B. Bersuker
- 4. A review of ab initio calculations on proton transfer in zeolites / Marcel Allavena and David White
- 5. Ionic clusters with weakly interacting components-magic numbers rationalized by the shell structure / Szczepan Roszak and Jerzy Leszczynski
- 6. Turning point quantization and scalet-wavelet analysis / Carlos R. Handy.