Reaction Rate Theory and Rare Events

Written By Baron Peters
Reaction Rate Theory and Rare Events
  • Publsiher : Elsevier
  • Release : 22 March 2017
  • ISBN : 0444594701
  • Pages : 634 pages
  • Rating : /5 from reviews
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Download or read book entitled Reaction Rate Theory and Rare Events by author: Baron Peters which was release on 22 March 2017 and published by Elsevier with total page 634 pages . This book available in PDF, EPUB and Kindle Format. 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

Reaction Rate Theory and Rare Events

Reaction Rate Theory and Rare Events
  • Author : Baron Peters
  • Publisher : Elsevier
  • Release Date : 2017-03-22
  • Total pages : 634
  • ISBN : 0444594701
GET BOOK

Summary : 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 ...

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  • Publisher : John Wiley & Sons
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  • ISBN : 0444594701
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Summary : This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, molecular detailed simulations of lipid bilayers, semiclassical bohmian dynamics, dissipative particle dynamics, trajectory-based rare event simulations, and understanding metal/metal electrical contact conductance from the atomic to continuum scales. ...

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