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Computational chemistry. reviews of current trends / Volume 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 |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore :
World Scientific,
©2003.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 050 | 4 | |a QA75.5 |b .P3 Vol. 8 2003eb | |
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| 245 | 0 | 0 | |a Computational chemistry. |n Volume 8 : |b reviews of current trends / |c editor, Jerzy Leszczynski. |
| 260 | |a Singapore : |b World Scientific, |c ©2003. | ||
| 300 | |a 1 online resource (ix, 350 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
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| 347 | |a data file | ||
| 504 | |a Includes bibliographical references. | ||
| 505 | 0 | 0 | |g ch. 1. |t Computational modelling of the solvent effects on molecular properties / |r Roberto Cammi, Benedetta Mennucci and Jacopo Tomasi -- |g ch. 2. |t Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters / |r Maxime Guillaumea [and others] -- |g ch. 3. |t Ab initio calculations of the intermolecular nuclear spin-spin coupling constants / |r Magdalena Pecul and Joanna Sadlej -- |g ch. 4. |t Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies / |r Michael Meyer and Jiirgen Siihnel -- |g ch. 5. |t Model calculations of radiation induced damage in DNA constituents using density functional theory / |r David M. Close -- |g ch. 6. |t Excited states of nucleic acid bases / |r M.K. Shukla and Jerzy Leszczynski. |
| 520 | |a 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-dimensional components. | ||
| 588 | 0 | |a Print version record. | |
| 546 | |a English. | ||
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| 650 | 0 | |a Chemistry |x Mathematics. | |
| 650 | 0 | |a Parallel computers. | |
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| 650 | 7 | |a Chemistry |x Mathematics |2 fast | |
| 650 | 7 | |a Parallel computers |2 fast | |
| 700 | 1 | |a Leszczynski, Jerzy, |d 1949- | |
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| 776 | 1 | |z 9789812387028 | |
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