Theories of Molecular Reaction Dynamics

The Microscopic Foundation of Chemical Kinetics

By: Niels E. Henriksen, Flemming Y. Hansen

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Hardcover | 22 November 2018 | Edition Number 2

At a Glance

Hardcover
464 Pages

Edition Type
Revised

Dimensions(cm)
24.89 x 17.78 x 2.79

Hardcover

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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. The emphasis is on concepts and insights obtained via analytical theories rather than computational and numerical aspects.

Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed 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.

The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.

Industry Reviews

I strongly recommend this book to graduate students, instructors, and anyone working or interested in the field. The book can also be an excellent complement to other physical chemistry courses. This book is a fantastic resource. I will definitely use it as a learning and reference material for myself and for my research group. * Pedro H. C. Camargo, Department of Chemistry, University of Helsinki, Journal of Materials Science *
A topic of fundamental importance in physical chemistry and chemical physics. * Jonathan Connor, University of Manchester *
This book is a comprehensive monograph on all the aspects of the molecular reaction dynamics and is useful for all the specialists in physico-chemical and chemical fields. * Corina Cernatescu, IASI Polytechnic Magazine *

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