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Understanding Chemical Reactivity

Solvent Effects and Chemical Reactivity

Editors: Tapia, Orlando, Bertrán, Juan (Eds.)

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About this book

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.

Table of contents (7 chapters)

Table of contents (7 chapters)
  • Continuum Solvation Models

    Pages 1-80

    Cramer, Christopher J. (et al.)

  • Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory

    Pages 81-123

    Contreras, Renato (et al.)

  • Monte Carlo Simulations of Chemical Reactions in Solution

    Pages 125-177

    González-Lafont, Angels (et al.)

  • Computer Simulation for Chemical Systems: from Vacuum to Solution

    Pages 179-229

    Corongiu, G. (et al.)

  • Crossing the Transition State in Solution

    Pages 231-258

    Hynes, James T.

Buy this book

eBook $109.00
price for USA in USD (gross)
  • ISBN 978-0-306-46931-2
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $279.99
price for USA in USD
  • ISBN 978-0-7923-3995-3
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $139.99
price for USA in USD
  • ISBN 978-1-4020-0417-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Solvent Effects and Chemical Reactivity
Editors
  • Orlando Tapia
  • Juan Bertrán
Series Title
Understanding Chemical Reactivity
Series Volume
17
Copyright
2002
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-0-306-46931-2
DOI
10.1007/0-306-46931-6
Hardcover ISBN
978-0-7923-3995-3
Softcover ISBN
978-1-4020-0417-9
Edition Number
1
Number of Pages
X, 380
Topics