Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics / Edition 1

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Overview


This book deals with a central topic at the interface of chemistry and physics- the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation.
Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end of chapter problems are included in order to illustrate the theory and its connection to chemical problems.

To request a copy of the Solutions Manual, visit: http://global.oup.com/uk/academic/physics/admin/solutions

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Product Details

  • ISBN-13: 9780199203864
  • Publisher: Oxford University Press, USA
  • Publication date: 4/7/2008
  • Series: Oxford Graduate Texts Series
  • Edition number: 1
  • Pages: 392
  • Product dimensions: 9.80 (w) x 6.60 (h) x 1.10 (d)

Meet the Author

Niels Engholm Henriksen is an Associate Professor in the Department of Chemistry at Technical University of Denmark.
Flemming Yssing Hansen is an Associate Professor in the Department of Chemistry at Technical University of Denmark.

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Table of Contents

Chapter 1. Introduction
I Gas-Phase Dynamics
Chapter 2. From microscopic to macroscopic descriptions
Chapter 3. Potential energy surfaces
Chapter 4. Biomolecular reactions, dynamics of collisions
Chapter 5. Rate constants, reactive flux
Chapter 6. Bimolecular reactions, transition-state theory
Chapter 7. Unimolecular reactions
Chapter 8. Microscopic interpretation of Arhenius parameters
II Condensed-Phase Dynamics
Chapter 9. Introduction to condensed-phase dynamics
Chapter 10. Static solvent effects, transition-state theory
Chapter 11. Dynamic solvent effects, Kramers theory
III Appendices
Chapter A. Statistical Mechanics
Chapter B. Microscopic reversibility and detailed balance
Chapter C. Cross sections in various frames
Chapter D. Classical mechanics, coordinate transformation
Chapter E. Small vibrations and normal mode coordinates
Chapter F. An integral
Chapter G. Dynamics of random processes
Chapter H. Multidimensional integrals, Monte Carlo method

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