Molecular theory of solvation
- 其他作者: Hirata, Fumio.
- 出版: Dordrecht ;Boston : Kluwer Academic Publishers ©2003.
- 稽核項: 1 online resource (x, 358 pages) :illustrations.
- 叢書名: Understanding chemical reactivity ;v. 24
- 標題: Dynamique moléculaire. , Solvation. , SCIENCE , Electronic books. , SCIENCE Chemistry -- Physical & Theoretical. , Théorie moléculaire. , ChemistryPhysical & Theoretical. , Solvatation. , Molecular dynamics. , Molecular theory.
- ISBN: 1402015623 , 9781402015625
- ISBN: 1402015623
- 試查全文@TNUA:
- 附註: Includes index. From the Contents: Preface -- 1: Theory of molecular liquids -- 2: Electronic Structure and Chemical Reaction in Solution -- 3: Conformational stability of biomolecules in solution -- 4: Three-dimensional RISM theory -- 5: Dynamical processes in solution -- References. Includes bibliographical references and index.
- 摘要: Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
- 電子資源: https://dbs.tnua.edu.tw/login?url=https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=119472
- 系統號: 005311405
- 資料類型: 電子書
- 讀者標籤: 需登入
- 引用網址: 複製連結
Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
來源: Google Book
來源: Google Book
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