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Solvent Effects And Chemical Reactivity
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Solvent Effects And Chemical Reactivity - neues Buch

ISBN: 9781402004179

ID: 9127738

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. 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. Books, Science and Geography~~Chemistry~~Physical Chemistry, Solvent Effects And Chemical Reactivity~~Book~~9781402004179, , , , , , , , , ,, [PU: Springer]

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Solvent Effects and Chemical Reactivity
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Solvent Effects and Chemical Reactivity - neues Buch

ISBN: 9781402004179

This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers. Textbooks New Books ~~ Science~~ Chemistry ~~ Physical & Theoretical Solvent-Effects-and-Chemical-Reactivity~~Orlando-Tapia Springer Netherlands This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.

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Solvent Effects and Chemical Reactivity - Juan Bertrán
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Juan Bertrán:
Solvent Effects and Chemical Reactivity - Taschenbuch

2003

ISBN: 1402004176

ID: 9730368510

[EAN: 9781402004179], Neubuch, [PU: Springer Jul 2003], BIOCHEMIE; CHEMIE / DATENVERARBEITUNG ANWENDUNGEN WISSENSCHAFTEN; PHYSIKALISCHE, This item is printed on demand - Print on Demand Titel. 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. 380 pp. Englisch

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Solvent Effects and Chemical Reactivity - Orlando Tapia; Juan Bertrán
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Orlando Tapia; Juan Bertrán:
Solvent Effects and Chemical Reactivity - neues Buch

ISBN: 1402004176

ID: 4171756768

[EAN: 9781402004179], Neubuch, This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.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. Brand NEW unread book. This item is printed on demand. Perfectly bound book in mint condition.

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Solvent Effects and Chemical Reactivity
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Solvent Effects and Chemical Reactivity - neues Buch

ISBN: 9781402004179

ID: 978140200417

This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers. Books, Science and Nature, Solvent Effects and Chemical Reactivity Books>Science and Nature, Springer Netherlands

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Solvent Effects and Chemical Reactivity
Autor:

Orlando Tapia; Juan Bertrán

Titel:

Solvent Effects and Chemical Reactivity

ISBN-Nummer:

1402004176

This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.

Detailangaben zum Buch - Solvent Effects and Chemical Reactivity


EAN (ISBN-13): 9781402004179
ISBN (ISBN-10): 1402004176
Taschenbuch
Erscheinungsjahr: 2003
Herausgeber: Springer-Verlag GmbH
392 Seiten
Gewicht: 0,586 kg
Sprache: eng/Englisch

Buch in der Datenbank seit 27.10.2007 16:45:44
Buch zuletzt gefunden am 23.06.2016 16:20:08
ISBN/EAN: 1402004176

ISBN - alternative Schreibweisen:
1-4020-0417-6, 978-1-4020-0417-9

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