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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 |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore :
World Scientific,
©2003.
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| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 245 | 0 | 0 | |a Computational chemistry : |b reviews of current trends. |n Vol. 8 / |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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| 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. | ||
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Chemistry |x Mathematics. | |
| 650 | 0 | |a Parallel computers. | |
| 650 | 6 | |a Ordinateurs parallèles. | |
| 650 | 7 | |a SCIENCE |x Chemistry |x General. |2 bisacsh | |
| 650 | 7 | |a Chemistry |x Mathematics |2 fast | |
| 650 | 7 | |a Parallel computers |2 fast | |
| 700 | 1 | |a Leszczynski, Jerzy, |d 1949- | |
| 758 | |i has work: |a Volume 2 Computational chemistry (Text) |1 https://id.oclc.org/worldcat/entity/E39PCFJ3cbqHC4vp7GQRxRGBHd |4 https://id.oclc.org/worldcat/ontology/hasWork | ||
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