Sinossi
This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.
Le informazioni nella sezione "Riassunto" possono far riferimento a edizioni diverse di questo titolo.
Contenuti
Preface. Continuum Solvation Models; C.J. Cramer, D.G. Truhlar. Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory; R. Contreras, et al. Monte Carlo Simulations of Chemical Reactions in Solution; A. Gonzalez-Lafont, et al. Computer Simulation for Chemical Systems: From Vacuum to Solution; G. Corongiu, et al. Crossing the Transition State in Solution; J.T. Hynes. Valence Bond Multistate Approach to Chemical Reactions in Solution; R. Bianco, J.T. Hynes. Quantum Theory of Solvent Effects and Chemical Reactions; O. Tapia, et al. Index.
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Gebunden. Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surro. Codice articolo 5967739
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Buch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field. 394 pp. Englisch. Codice articolo 9780792339953
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Buch. Condizione: Neu. Solvent Effects and Chemical Reactivity | Juan Bertrán (u. a.) | Buch | x | Englisch | 1996 | Springer Netherland | EAN 9780792339953 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu Print on Demand. Codice articolo 102545238
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Condizione: New. Presents an overview of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. This book treats subjects including continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, and Monte Carlo simulations of chemical reactions in solution. Editor(s): Tapia, Orlando; Bertran, J. Series: Understanding Chemical Reactivity. Num Pages: 380 pages, biography. BIC Classification: PNRP. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly. Dimension: 297 x 210 x 22. Weight in Grams: 730. . 1996. Hardback. . . . . Codice articolo V9780792339953
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Buch. Condizione: Neu. Neuware -This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 394 pp. Englisch. Codice articolo 9780792339953
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Buch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field. Codice articolo 9780792339953
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Condizione: New. Presents an overview of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. This book treats subjects including continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, and Monte Carlo simulations of chemical reactions in solution. Editor(s): Tapia, Orlando; Bertran, J. Series: Understanding Chemical Reactivity. Num Pages: 380 pages, biography. BIC Classification: PNRP. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly. Dimension: 297 x 210 x 22. Weight in Grams: 730. . 1996. Hardback. . . . . Books ship from the US and Ireland. Codice articolo V9780792339953
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