Reaction Rate Theory and Rare Events


Author: Baron Peters
Publisher: Elsevier
ISBN: 0444594701
Category: Technology & Engineering
Page: 634
View: 709
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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

Faraday Discussion 195
Author: N.A
Publisher: Faraday Discussions
ISBN: 9781782624837
Category: Science
Page: 720
View: 1954
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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.

Statistical Mechanics: Theory and Molecular Simulation


Author: Mark Tuckerman
Publisher: OUP Oxford
ISBN: 9780191523465
Category: Science
Page: 720
View: 8878
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Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.

Molecular Reaction Dynamics


Author: Raphael D. Levine
Publisher: Cambridge University Press
ISBN: 9781139442879
Category: Technology & Engineering
Page: N.A
View: 7781
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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.

The Improbability Principle

Why Coincidences, Miracles, and Rare Events Happen Every Day
Author: David J. Hand
Publisher: Macmillan
ISBN: 0374175349
Category: Business & Economics
Page: 269
View: 301
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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,Vicent Moliner
Publisher: Royal Society of Chemistry
ISBN: 1782626832
Category: Science
Page: 535
View: 632
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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.

Rare Earth

Why Complex Life is Uncommon in the Universe
Author: Peter D. Ward,Donald Brownlee
Publisher: Springer
ISBN: 0387218483
Category: Science
Page: 338
View: 1642
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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.

Direct Methane to Methanol

Foundations and Prospects of the Process
Author: Vladimir Arutyunov
Publisher: Elsevier
ISBN: 0444632514
Category: Technology & Engineering
Page: 320
View: 2152
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Direct Methane to Methanol: Foundations and Prospects of the Process offers a state-of-the-art account of one of the most interesting and potentially commercial technologies for direct conversion of natural gas into valuable chemicals. The book thoroughly explains the complex and unusual chemistry of the process, as well as possible applications for direct methane to methanol (DMTM). It covers topics involving thermokinetics, pressure, direct oxidation of heavier alkanes, and more, and provides detailed appendices with experimental data and product yields. This book provides all those who work in the field of gas processing and gas chemistry with the theory and experimental data to develop and apply new processes based on direct oxidation of natural gas. All those who deal with oil and natural gas production and processing will learn about this promising technology for the conversion of gas into more valuable chemicals. Reviews more than 350 publications on high-pressure, low-temperature oxidation of methane and other gas phase hydrocarbons Contains rare material available for the first time in English Explains the reasons of previous failure and outlines the way forward for commercial development of the conversion technology Presents a deep theoretical knowledge of this complex conversion process

Computer Simulations in Condensed Matter: From Materials to Chemical Biology


Author: Mauro Ferrario,Giovanni Ciccotti,Kurt Binder
Publisher: Springer Science & Business Media
ISBN: 354035283X
Category: Science
Page: 592
View: 4021
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This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 2 offers surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, including supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.

How to win friends & influence people


Author: Dale Carnegie
Publisher: Diamond Pocket Books Pvt Ltd
ISBN: 9352613937
Category: Self-Help
Page: 224
View: 9348
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Reaction In Condensed Phases


Author: Henry Eyring
Publisher: Elsevier
ISBN: 0323142397
Category: Science
Page: 816
View: 8969
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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.

And the Band Played On

Politics, People, and the AIDS Epidemic, 20th-Anniversary Edition
Author: Randy Shilts
Publisher: St. Martin's Griffin
ISBN: 9781429930390
Category: History
Page: 656
View: 2089
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Upon it's first publication twenty years ago, And The Band Played on was quickly recognized as a masterpiece of investigative reporting. An international bestseller, a nominee for the National Book Critics Circle Award, and made into a critically acclaimed movie, Shilts' expose revealed why AIDS was allowed to spread unchecked during the early 80's while the most trusted institutions ignored or denied the threat. One of the few true modern classics, it changed and framed how AIDS was discussed in the following years. Now republished in a special 20th Anniversary edition, And the Band Played On remains one of the essential books of our time.

Chemical Kinetics and Transport


Author: Peter Jordan
Publisher: Springer Science & Business Media
ISBN: 1461590981
Category: Science
Page: 368
View: 7208
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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.

Stumbling on Happiness


Author: Daniel Gilbert
Publisher: Vintage Canada
ISBN: 0307371360
Category: Psychology
Page: 336
View: 9571
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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.

Antifragile

Things that Gain from Disorder
Author: Nassim Nicholas Taleb
Publisher: Random House Incorporated
ISBN: 0812979680
Category: Business & Economics
Page: 519
View: 678
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Shares insights into how adversity can bring out the best in individuals and communities, drawing on multiple disciplines to consider such topics as the superiority of city states over nation states and the drawbacks of debt.

The General Theory of Employment, Interest, and Money


Author: John Maynard Keynes
Publisher: Springer
ISBN: 3319703447
Category: Business & Economics
Page: 404
View: 6178
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This book was originally published by Macmillan in 1936. It was voted the top Academic Book that Shaped Modern Britain by Academic Book Week (UK) in 2017, and in 2011 was placed on Time Magazine's top 100 non-fiction books written in English since 1923. Reissued with a fresh Introduction by the Nobel-prize winner Paul Krugman and a new Afterword by Keynes’ biographer Robert Skidelsky, this important work is made available to a new generation. The General Theory of Employment, Interest and Money transformed economics and changed the face of modern macroeconomics. Keynes’ argument is based on the idea that the level of employment is not determined by the price of labour, but by the spending of money. It gave way to an entirely new approach where employment, inflation and the market economy are concerned. Highly provocative at its time of publication, this book and Keynes’ theories continue to remain the subject of much support and praise, criticism and debate. Economists at any stage in their career will enjoy revisiting this treatise and observing the relevance of Keynes’ work in today’s contemporary climate.

Multiple Time Scales


Author: Jeremiah U. Brackbill,Bruce I. Cohen
Publisher: Academic Press
ISBN: 1483257568
Category: Mathematics
Page: 456
View: 2448
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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.

Rare Earths

Science, Technology, Production and Use
Author: Jacques Lucas,Pierre Lucas,Thierry Le Mercier,Alain Rollat,William G. Davenport
Publisher: Elsevier
ISBN: 0444627448
Category: Technology & Engineering
Page: 410
View: 6559
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High-technology and environmental applications of the rare-earth elements (REE) have grown dramatically in diversity and importance over the past four decades. This book provides a scientific understanding of rare earth properties and uses, present and future. It also points the way to efficient recycle of the rare earths in end-of-use products and efficient use of rare earths in new products. Scientists and students will appreciate the book's approach to the availability, structure and properties of rare earths and how they have led to myriad critical uses, present and future. Experts should buy this book to get an integrated picture of production and use (present and future) of rare earths and the science behind this picture. This book will prove valuable to.non-scientists as well in order to get an integrated picture of production and use of rare earths in the 21st Century, and the science behind this picture. Defines the chemical, physical and structural properties of rare earths. Gives the reader a basic understanding of what rare earths can do for us. Describes uses of each rare earth with chemical, physics, and structural explanations for the properties that underlie those uses. Allows the reader to understand how rare earths behave and why they are used in present applications and will be used in future applications. Explains to the reader where and how rare earths are found and produced and how they are best recycled to minimize environmental impact and energy and water consumption.

The Lessons of History


Author: Will Durant,Ariel Durant
Publisher: Simon and Schuster
ISBN: 1439170193
Category: History
Page: 128
View: 3646
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A concise survey of the culture and civilization of mankind, The Lessons of History is the result of a lifetime of research from Pulitzer Prize–winning historians Will and Ariel Durant. With their accessible compendium of philosophy and social progress, the Durants take us on a journey through history, exploring the possibilities and limitations of humanity over time. Juxtaposing the great lives, ideas, and accomplishments with cycles of war and conquest, the Durants reveal the towering themes of history and give meaning to our own.

Gas Phase Ion Chemistry


Author: Michael T. Bowers
Publisher: Academic Press
ISBN: 1483216489
Category: Science
Page: 368
View: 8558
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Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well as the rapidity of ion-molecule reactions are also encompassed. Chemists, physicists, and people working in aeronomy laboratory and involved in space research will find the book invaluable.