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Computational chemistry : reviews of current trends. Volume 2 /
The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of computational chemistry methods. The covered topics include fundamentals and applications of propagator calculations, as well as recent devel...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore :
World Scientific,
©1997.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 1. The electron propagator picture of molecular electronic structure / J.V. Ortiz
- 2. SAC-CI method: Theoretical aspects and some recent topics / Hiroshi Nakatsuji
- 3. Quantum Monte Carlo and electronic structure / Robert N. Barnett and William A. Lester, Jr.
- 4. Molecular structure and infrared spectra of the DNA bases and their derivatives: Theory and experiment / Maciej J. Nowak [and others]
- 5. Derivation and assessment of a new set of AB initio potentials and its application to the molecular dynamics simulations of biological molecules in vacuo, in crystal and in aqueous solution / Misako Aida
- 6. Practical exercises in Ab initio quantum chemistry
- the World Wide Web as a teaching environment / Hans Peter Luthi [and others].