Reaction Rate Theory And Rare Events

Author: Baron Peters
Publisher: Elsevier
ISBN: 0444563490
Size: 13.93 MB
Format: PDF, Kindle
View: 4786
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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

Reaction Rate Theory And Rare Events 4 5 2017 Baron Peters

Author: Baron Peters
Publisher: Elsevier
ISBN: B074RCC7TP
Size: 14.61 MB
Format: PDF, ePub
View: 6904
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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 elsewhereGives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare eventsUses 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

Author: Baron Peters
Publisher: Elsevier
ISBN: 0444594701
Size: 27.35 MB
Format: PDF, Kindle
View: 2159
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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.

Simulating Enzyme Reactivity

Author: Inaki Tunon
Publisher: Royal Society of Chemistry
ISBN: 1782626832
Size: 47.94 MB
Format: PDF, ePub, Docs
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Featuring contributions from renowned authors, including Nobel Laureate Arieh Warshel, this book explores the theories, methodologies and applications in simulations of enzyme reactions.

Ab Initio Investigation Of Ground States And Ionic Motion In Particular In Zirconia Based Solid Oxide Electrolytes

Author: Julian Arndt Hirschfeld
Publisher: Forschungszentrum J├╝lich
ISBN: 3893368973
Size: 43.41 MB
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The Transition State Theory (TST) describes the reaction rates of rare events like
elemental chemical reactions (e.g. catalytic reaction of hydrogen and oxygen on
the surface of fuel cell electrodes) and diffusion processes in solid states (e.g. ...

Principles Of Adsorption And Reaction On Solid Surfaces

Author: Richard I. Masel
Publisher: John Wiley & Sons
ISBN: 9780471303923
Size: 78.82 MB
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While the theory of surface reactions is still under active development, the approach Dr. Richard Masel takes in this book is to outline general principles derived from thermodynamics and reaction rate theory that can be applied to ...

Chemical Kinetics

Author: Kenneth Antonio Connors
Publisher: John Wiley & Sons
ISBN: 9781560810063
Size: 68.21 MB
Format: PDF, ePub, Docs
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Chemical Kinetics The Study of Reaction Rates in Solution Kenneth A. Connors This chemical kinetics book blends physical theory, phenomenology and empiricism to provide a guide to the experimental practice and interpretation of reaction ...

Thinking Fast And Slow

Author: Daniel Kahneman
Publisher: Farrar, Straus and Giroux
ISBN: 1429969350
Size: 21.66 MB
Format: PDF, ePub
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Major New York Times bestseller Winner of the National Academy of Sciences Best Book Award in 2012 Selected by the New York Times Book Review as one of the ten best books of 2011 A Globe and Mail Best Books of the Year 2011 Title One of The ...

Gut Reactions

Author: Jesse J. Prinz
Publisher: Oxford University Press
ISBN: 0199882258
Size: 76.27 MB
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Gut Reactions is an interdisciplinary defense of the claim that emotions are perceptions in a double sense.

The Black Swan

Author: Nassim Nicholas Taleb
Publisher: Allen Lane
ISBN: 9781846140457
Size: 68.23 MB
Format: PDF, ePub, Docs
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In this revelatory book, Taleb explains everything we know about what we don't know, and shows us how to face the world.

Stumbling On Happiness

Author: Daniel Gilbert
Publisher: Vintage
ISBN: 9780307265302
Size: 17.95 MB
Format: PDF
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Bringing to life scientific research in psychology, cognitive neuroscience, philosophy, and behavioral economics, this bestselling book reveals what scientists have discovered about the uniquely human ability to imagine the future, and ...

Physical Chemistry For The Biosciences

Author: Raymond Chang
Publisher: University Science Books
ISBN: 9781891389337
Size: 17.85 MB
Format: PDF, ePub, Mobi
View: 1633
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This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences.