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- Reaction Rate Theory and Rare Events

- Author : Baron Peters
- 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

- Author : Baron Peters
- Publisher : Elsevier
- Release Date : 2017-03-22
- Total pages : 634
- ISBN : 0444594701

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**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 ...

- Author : Gregoire Nicolis,Dominique Maes
- Publisher : John Wiley & Sons
- Release Date : 2012-05-22
- Total pages : 339
- ISBN : 0444594701

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**Summary :** The Advances in Chemical Physics series—the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a ...

- Author : Liliana Mammino,Davide Ceresoli,Jean Maruani,Erkki Brändas
- Publisher : Springer Nature
- Release Date : 2020-02-05
- Total pages : 469
- ISBN : 0444594701

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**Summary :** This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working ...

- Author : Gerardo Rubino,Bruno Tuffin
- Publisher : John Wiley & Sons
- Release Date : 2009-03-18
- Total pages : 278
- ISBN : 0444594701

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**Summary :** In a probabilistic model, a rare event is an event with a very small probability of occurrence. The forecasting of rare events is a formidable task but is important in many areas. For instance a catastrophic failure in a transport system or in a nuclear power plant, the failure of ...

- Author : Christopher R. Weinberger,Garritt J. Tucker
- Publisher : Springer
- Release Date : 2016-08-30
- Total pages : 547
- ISBN : 0444594701

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**Summary :** This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations ...

- Author : Clifford Dykstra,Gernot Frenking,Kwang Kim,Gustavo Scuseria
- Publisher : Elsevier
- Release Date : 2011-10-13
- Total pages : 1336
- ISBN : 0444594701

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**Summary :** Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on ...

- Author : Weinan E
- Publisher : Cambridge University Press
- Release Date : 2011-07-07
- Total pages : 466
- ISBN : 0444594701

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**Summary :** A systematic discussion of the fundamental principles, written by a leading contributor to the field....

- Author : Tamar Schlick
- Publisher : Royal Society of Chemistry
- Release Date : 2012
- Total pages : 380
- ISBN : 0444594701

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**Summary :** The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity ...

- Author : Axel Groß
- Publisher : Springer Science & Business Media
- Release Date : 2013-03-09
- Total pages : 276
- ISBN : 0444594701

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**Summary :** Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. In this book the theoretical concepts and computational tools necessary and relevant for a microscopic ...

- Author : Kenny B. Lipkowitz
- Publisher : John Wiley & Sons
- Release Date : 2010-09-23
- Total pages : 400
- 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. ...

- Author : Stefan T. Bromley,Scott M. Woodley
- Publisher : Elsevier
- Release Date : 2018-09-12
- Total pages : 351
- ISBN : 0444594701

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**Summary :** Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications ...

- Author : Louise Desplat
- Publisher : Springer Nature
- Release Date : 2021-08-01
- Total pages : 212
- ISBN : 0444594701

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**Summary :** Read online Thermal Stability of Metastable Magnetic Skyrmions written by Louise Desplat, published by Springer Nature which was released on . Download full Thermal Stability of Metastable Magnetic Skyrmions Books now! Available in PDF, ePub and Kindle....

- Author : Claude Le Bris
- Publisher : Gulf Professional Publishing
- Release Date : 2003-06-13
- Total pages : 899
- ISBN : 0444594701

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**Summary :** Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical ...

- Author : Michael P. Allen,Dominic J. Tildesley
- Publisher : Oxford University Press
- Release Date : 2017-08-15
- Total pages : 640
- ISBN : 0444594701

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**Summary :** This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about ...

- Author : Giovanni Ciccotti,Mauro Ferrario,Christof Schuette
- Publisher : MDPI
- Release Date : 2018-10-08
- Total pages : 636
- ISBN : 0444594701

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**Summary :** Printed Edition of the Special Issue Published in Entropy...