Computational chemistry, Volume 8: reviews of current trends
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Singapore
World Scientific
c2003
|
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | 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 ... [et al.] -- - 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 |
| Beschreibung: | 1 Online-Ressource (ix, 350 p.) |
| ISBN: | 1281876763 9781281876768 9789812387028 9789812564368 9812387021 9812564365 |
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| 245 | 1 | 0 | |a Computational chemistry, Volume 8 |b reviews of current trends |c editor, Jerzy Leszczynski |
| 264 | 1 | |a Singapore |b World Scientific |c c2003 | |
| 300 | |a 1 Online-Ressource (ix, 350 p.) | ||
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| 500 | |a Includes bibliographical references | ||
| 500 | |a 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 ... [et al.] -- - 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 | ||
| 500 | |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 | ||
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| discipline | Chemie / Pharmazie |
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| id | DE-604.BV043090452 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:17:07Z |
| institution | BVB |
| isbn | 1281876763 9781281876768 9789812387028 9789812564368 9812387021 9812564365 |
| language | English |
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| physical | 1 Online-Ressource (ix, 350 p.) |
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| publishDate | 2003 |
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| publisher | World Scientific |
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| spelling | Computational chemistry, Volume 8 reviews of current trends editor, Jerzy Leszczynski Singapore World Scientific c2003 1 Online-Ressource (ix, 350 p.) txt rdacontent c rdamedia cr rdacarrier 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 ... [et al.] -- - 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 SCIENCE / Chemistry / General bisacsh Chemie Mathematik Chemistry Mathematics Parallel computers Leszczynski, Jerzy Sonstige oth http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=134089 Aggregator Volltext |
| spellingShingle | Computational chemistry, Volume 8 reviews of current trends SCIENCE / Chemistry / General bisacsh Chemie Mathematik Chemistry Mathematics Parallel computers |
| title | Computational chemistry, Volume 8 reviews of current trends |
| title_auth | Computational chemistry, Volume 8 reviews of current trends |
| title_exact_search | Computational chemistry, Volume 8 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, Volume 8 |
| title_sort | computational chemistry volume 8 reviews of current trends |
| title_sub | reviews of current trends |
| topic | SCIENCE / Chemistry / General bisacsh Chemie Mathematik Chemistry Mathematics Parallel computers |
| topic_facet | SCIENCE / Chemistry / General Chemie Mathematik Chemistry Mathematics Parallel computers |
| url | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=134089 |
| work_keys_str_mv | AT leszczynskijerzy computationalchemistryvolume8reviewsofcurrenttrends |