reaction rate theory and rare events

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Reaction Rate Theory And Rare Events

Author : Baron Peters
ISBN : 9780444594709
Genre : Technology & Engineering
File Size : 40. 38 MB
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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

Author :
ISBN : 178262483X
Genre : Science
File Size : 83. 23 MB
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Reaction rate theory has developed rapidly in recent years and is being used to interpret and simulate an ever growing range of challenging rate-processes in chemistry, physics and biology. New theories and methodologies have been developed to treat processes including coupled proton and electron transfer, enzyme catalysis, nucleation and transport through cell membranes. Underlying these disparate areas of rate-theory are a common language, techniques and methodology. This Faraday Discussions brings together theoretical and physical chemists, molecular biologists, solid state physicists and bio-physicists in academia and industry to discuss recent advances in reaction rate theory.

The Improbability Principle

Author : David J. Hand
ISBN : 9780374175344
Genre : Business & Economics
File Size : 49. 14 MB
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A well-known statistician presents his theory that extraordinary and rare events are actually commonplace and cites stories of two-time lottery winners and other bizarre coincidences to support his theory that unlikely events statistically must happen. 50,000 first printing.

Simulating Enzyme Reactivity

Author : Inaki Tunon
ISBN : 9781782626831
Genre : Science
File Size : 46. 97 MB
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The simulation of enzymatic processes is a well-established field within computational chemistry, as demonstrated by the 2013 Nobel Prize in Chemistry. It has been attracting increasing attention in recent years due to the potential applications in the development of new drugs or new environmental-friendly catalysts. Featuring contributions from renowned authors, including Nobel Laureate Arieh Warshel, this book explores the theories, methodologies and applications in simulations of enzyme reactions. It is the first book offering a comprehensive perspective of the field by examining several different methodological approaches and discussing their applicability and limitations. The book provides the basic knowledge for postgraduate students and researchers in chemistry, biochemistry and biophysics, who want a deeper understanding of complex biological process at the molecular level.

Molecular Reaction Dynamics

Author : Raphael D. Levine
ISBN : 1139442872
Genre : Technology & Engineering
File Size : 57. 25 MB
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Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.

Rare Earth

Author : Peter D. Ward
ISBN : 9780387218489
Genre : Science
File Size : 90. 85 MB
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What determines whether complex life will arise on a planet, or even any life at all? Questions such as these are investigated in this groundbreaking book. In doing so, the authors synthesize information from astronomy, biology, and paleontology, and apply it to what we know about the rise of life on Earth and to what could possibly happen elsewhere in the universe. Everyone who has been thrilled by the recent discoveries of extrasolar planets and the indications of life on Mars and the Jovian moon Europa will be fascinated by Rare Earth, and its implications for those who look to the heavens for companionship.

Stumbling On Happiness

Author : Daniel Gilbert
ISBN : 9780307371362
Genre : Psychology
File Size : 46. 15 MB
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A smart and funny book by a prominent Harvard psychologist, which uses groundbreaking research and (often hilarious) anecdotes to show us why we’re so lousy at predicting what will make us happy – and what we can do about it. Most of us spend our lives steering ourselves toward the best of all possible futures, only to find that tomorrow rarely turns out as we had expected. Why? As Harvard psychologist Daniel Gilbert explains, when people try to imagine what the future will hold, they make some basic and consistent mistakes. Just as memory plays tricks on us when we try to look backward in time, so does imagination play tricks when we try to look forward. Using cutting-edge research, much of it original, Gilbert shakes, cajoles, persuades, tricks and jokes us into accepting the fact that happiness is not really what or where we thought it was. Among the unexpected questions he poses: Why are conjoined twins no less happy than the general population? When you go out to eat, is it better to order your favourite dish every time, or to try something new? If Ingrid Bergman hadn’t gotten on the plane at the end of Casablanca, would she and Bogey have been better off? Smart, witty, accessible and laugh-out-loud funny, Stumbling on Happiness brilliantly describes all that science has to tell us about the uniquely human ability to envision the future, and how likely we are to enjoy it when we get there. From the Hardcover edition.

Multiple Time Scales

Author : Jeremiah U. Brackbill
ISBN : 9781483257563
Genre : Mathematics
File Size : 63. 77 MB
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Multiple Time Scales presents various numerical methods for solving multiple-time-scale problems. The selection first elaborates on considerations on solving problems with multiple scales; problems with different time scales; and nonlinear normal-mode initialization of numerical weather prediction models. Discussions focus on analysis of observations, nonlinear analysis, systems of ordinary differential equations, and numerical methods for problems with multiple scales. The text then examines the diffusion-synthetic acceleration of transport iterations, with application to a radiation hydrodynamics problem and implicit methods in combustion and chemical kinetics modeling. The publication ponders on molecular dynamics and Monte Carlo simulations of rare events; direct implicit plasma simulation; orbit averaging and subcycling in particle simulation of plasmas; and hybrid and collisional implicit plasma simulation models. Topics include basic moment method, electron subcycling, gyroaveraged particle simulation, and the electromagnetic direct implicit method. The selection is a valuable reference for researchers interested in pursuing further research on the use of numerical methods in solving multiple-time-scale problems.

Chemical Kinetics And Transport

Author : Peter Jordan
ISBN : 9781461590989
Genre : Science
File Size : 26. 59 MB
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This book began as a program of self-education. While teaching under graduate physical chemistry, I became progressively more dissatisfied with my approach to chemical kinetics. The solution to my problem was to write a detailed set of lecture notes which covered more material, in greater depth, than could be presented in undergraduate physical chemistry. These notes are the foundation upon which this book is built. My background led me to view chemical kinetics as closely related to transport phenomena. While the relationship of these topics is well known, it is often ignored, except for brief discussions of irreversible thermody namics. In fact, the physics underlying such apparently dissimilar processes as reaction and energy transfer is not so very different. The intermolecular potential is to transport what the potential-energy surface is to reactivity. Instead of beginning the sections devoted to chemical kinetics with a discussion of various theories, I have chosen to treat phenomenology and mechanism first. In this way the essential unity of kinetic arguments, whether applied to gas-phase or solution-phase reaction, can be emphasized. Theories of rate constants and of chemical dynamics are treated last, so that their strengths and weaknesses may be more clearly highlighted. The book is designed for students in their senior year or first year of graduate school. A year of undergraduate physical chemistry is essential preparation. While further exposure to chemical thermodynamics, statistical thermodynamics, or molecular spectroscopy is an asset, it is not necessary.

Reaction In Condensed Phases

Author : Henry Eyring
ISBN : 9780323142397
Genre : Science
File Size : 51. 81 MB
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Physical Chemistry: An Advanced Treatise: Reactions in Condensed Phases, Volume VII, deals with reactions in condensed phases. The purpose of this treatise is to present a comprehensive treatment of physical chemistry for advanced students and investigators in a reasonably small number of volumes. An attempt has been made to include all important topics in physical chemistry together with borderline subjects which are of particular interest and importance. The book begins by discussing the basic principles of reaction rates in solution. This is followed by separate chapters on estimating the rate parameters of elementary reactions; the use of correlation diagrams to interpret organic reactions; perturbation of reaction rates by substituents; and inorganic reactions. Subsequent chapters cover the important field of free radicals, including chain reactions and solvent effects; heterogeneous catalysis; various types of surface reactions; surface annealing; electron reactions; nucleation; and radiation chemistry. The book presents a broad picture of current developments in reaction rates in condensed phases in a form accessible to all students of chemical kinetics. This treatment, by experts in widely different areas, will hopefully meet many student needs and provide a useful overview for all.

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