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...
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| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore :
World Scientific,
©2003.
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Zusammenfassung: | 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. |
| Beschreibung: | 1 online resource (ix, 350 pages) : illustrations |
| Bibliographie: | Includes bibliographical references. |
| ISBN: | 9812564365 9789812564368 9789812387028 9812387021 1281876763 9781281876768 9786611876760 6611876766 |
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| 245 | 0 | 0 | |a Computational chemistry. |n Volume 8 : |b reviews of current trends / |c editor, Jerzy Leszczynski. |
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| 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. | |
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| 650 | 0 | |a Parallel computers. |0 http://id.loc.gov/authorities/subjects/sh89004421 | |
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| author2 | Leszczynski, Jerzy, 1949- |
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| author_GND | http://id.loc.gov/authorities/names/n95108065 |
| author_additional | Roberto Cammi, Benedetta Mennucci and Jacopo Tomasi -- Maxime Guillaumea [and others] -- Magdalena Pecul and Joanna Sadlej -- Michael Meyer and Jiirgen Siihnel -- David M. Close -- M.K. Shukla and Jerzy Leszczynski. |
| author_facet | Leszczynski, Jerzy, 1949- |
| author_sort | Leszczynski, Jerzy, 1949- |
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| contents | Computational modelling of the solvent effects on molecular properties / Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters / Ab initio calculations of the intermolecular nuclear spin-spin coupling constants / Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies / Model calculations of radiation induced damage in DNA constituents using density functional theory / Excited states of nucleic acid bases / |
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| discipline | Chemie / Pharmazie |
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| indexdate | 2024-11-27T13:16:01Z |
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| publisher | World Scientific, |
| record_format | marc |
| spelling | Computational chemistry. Volume 8 : reviews of current trends / editor, Jerzy Leszczynski. Singapore : World Scientific, ©2003. 1 online resource (ix, 350 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier data file Includes bibliographical references. 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. 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. Print version record. English. Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 Parallel computers. http://id.loc.gov/authorities/subjects/sh89004421 Ordinateurs parallèles. SCIENCE Chemistry General. bisacsh Chemistry Mathematics fast Parallel computers fast Leszczynski, Jerzy, 1949- https://id.oclc.org/worldcat/entity/E39PCjHkVPdpx8jdpTmDbgkcmq http://id.loc.gov/authorities/names/n95108065 9812387021 9789812387028 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=134089 Volltext |
| spellingShingle | Computational chemistry. reviews of current trends / Computational modelling of the solvent effects on molecular properties / Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters / Ab initio calculations of the intermolecular nuclear spin-spin coupling constants / Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies / Model calculations of radiation induced damage in DNA constituents using density functional theory / Excited states of nucleic acid bases / Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 Parallel computers. http://id.loc.gov/authorities/subjects/sh89004421 Ordinateurs parallèles. SCIENCE Chemistry General. bisacsh Chemistry Mathematics fast Parallel computers fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh2005000963 http://id.loc.gov/authorities/subjects/sh89004421 |
| title | Computational chemistry. reviews of current trends / |
| title_alt | Computational modelling of the solvent effects on molecular properties / Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters / Ab initio calculations of the intermolecular nuclear spin-spin coupling constants / Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies / Model calculations of radiation induced damage in DNA constituents using density functional theory / Excited states of nucleic acid bases / |
| title_auth | Computational chemistry. reviews of current trends / |
| title_exact_search | Computational chemistry. reviews of current trends / |
| title_full | Computational chemistry. Volume 8 : reviews of current trends / editor, Jerzy Leszczynski. |
| title_fullStr | Computational chemistry. Volume 8 : reviews of current trends / editor, Jerzy Leszczynski. |
| title_full_unstemmed | Computational chemistry. Volume 8 : reviews of current trends / editor, Jerzy Leszczynski. |
| title_short | Computational chemistry. |
| title_sort | computational chemistry reviews of current trends |
| title_sub | reviews of current trends / |
| topic | Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 Parallel computers. http://id.loc.gov/authorities/subjects/sh89004421 Ordinateurs parallèles. SCIENCE Chemistry General. bisacsh Chemistry Mathematics fast Parallel computers fast |
| topic_facet | Chemistry Mathematics. Parallel computers. Ordinateurs parallèles. SCIENCE Chemistry General. Chemistry Mathematics Parallel computers |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=134089 |
| work_keys_str_mv | AT leszczynskijerzy computationalchemistryvolume8reviewsofcurrenttrends |