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Computational chemistry : reviews of current trends. Vol. 8 /
Chapter 1 of this volume provides an overview of the theoretical andnumerical aspects in the development of the polarizable continuummodel (PCM). Chapter 2 demonstrates a multiplicative scheme used toestimate the properties of two- and three-dimensional clusters from the properties of their one-dime...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore :
World Scientific,
©2003.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Ch. 1. Computational modelling of the solvent effects on molecular properties / Roberto Cammi, Benedetta Mennucci and Jacopo Tomasi
- ch. 2. Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters / Maxime Guillaumea [and others]
- ch. 3. Ab initio calculations of the intermolecular nuclear spin-spin coupling constants / Magdalena Pecul and Joanna Sadlej
- ch. 4. Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies / Michael Meyer and Jiirgen Siihnel
- ch. 5. Model calculations of radiation induced damage in DNA constituents using density functional theory / David M. Close
- ch. 6. Excited states of nucleic acid bases / M.K. Shukla and Jerzy Leszczynski.