Chemical Kinetics and Reaction Dynamics

Chemical Kinetics and Reaction Dynamics
Title Chemical Kinetics and Reaction Dynamics PDF eBook
Author Santosh K. Upadhyay
Publisher Springer Science & Business Media
Pages 256
Release 2007-04-29
Genre Science
ISBN 1402045476

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Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

Methods in Reaction Dynamics

Methods in Reaction Dynamics
Title Methods in Reaction Dynamics PDF eBook
Author W. Jakubetz
Publisher Springer Science & Business Media
Pages 206
Release 2012-12-06
Genre Science
ISBN 3642565115

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Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.

Modern Trends in Chemical Reaction Dynamics

Modern Trends in Chemical Reaction Dynamics
Title Modern Trends in Chemical Reaction Dynamics PDF eBook
Author Xueming Yang
Publisher World Scientific
Pages 539
Release 2004
Genre Science
ISBN 9812389237

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Annotation Provides a detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. Topics include the Doppler-selected time-of-flight technique, multimass ion imaging, and photodissociation dynamics of free radicals.

Theories of Molecular Reaction Dynamics

Theories of Molecular Reaction Dynamics
Title Theories of Molecular Reaction Dynamics PDF eBook
Author Niels E. Henriksen
Publisher Oxford University Press, USA
Pages 391
Release 2008
Genre Science
ISBN 0199203865

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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. 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.

Chemical Kinetics and Reaction Dynamics

Chemical Kinetics and Reaction Dynamics
Title Chemical Kinetics and Reaction Dynamics PDF eBook
Author Paul L. Houston
Publisher Courier Corporation
Pages 354
Release 2012-10-10
Genre Science
ISBN 0486131696

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DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div

Reaction Rate Theory and Rare Events

Reaction Rate Theory and Rare Events
Title Reaction Rate Theory and Rare Events PDF eBook
Author Baron Peters
Publisher Elsevier
Pages 636
Release 2017-03-22
Genre Technology & Engineering
ISBN 0444594701

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Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises

Theory of Chemical Reaction Dynamics

Theory of Chemical Reaction Dynamics
Title Theory of Chemical Reaction Dynamics PDF eBook
Author Antonio Laganà
Publisher Springer Science & Business Media
Pages 498
Release 2006-03-28
Genre Science
ISBN 1402021658

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Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003