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 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.
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 kinetics in solution. It is suitable for courses in chemical kinetics at the graduate and advanced undergraduate levels. This book will appeal to students in physical organic chemistry, physical inorganic chemistry, biophysical chemistry, biochemistry, pharmaceutical chemistry and water chemistry-all fields concerned with the rates of chemical reactions in the solution phase.
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 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.
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.
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 as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.
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 cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Kinetics and thermodynamics of fluctuation-induced transitions in multistable systems (G. Nicolis and C. Nicolis) Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems (Titus S. van Erp) Confocal depolarized dynamic light scattering (M. Potenza, T. Sanvito, V. Degiorgio, and M. Giglio) The two-step mechanism and the solution-crystal spinodal for nucleation of crystals in solution (Peter G. Vekilov) Experimental studies of two-step nucleation during two-dimensional crystallization of colloidal particles with short-range attraction (John R. Savage, Liquan Pei, and Anthony D. Dinsmore) On the role of metastable intermediate states in the homogeneous nucleation of solids from solution (James F. Lutsko) Effects of protein size on the high-concentration/low-concentration phase transition (Patrick Grosfils) Geometric constraints in the self-assembly of mineral dendrites and platelets (John J. Kozak) What can mesoscopic level in situ observations teach us about kinetics and thermodynamics of protein crystallization? (Mike Sleutel, Dominique Maes, and Alexander Van Driessche) The ability of silica to induce biomimetic crystallization of calcium carbonate (Matthias Kellermeier, Emilio Melero-GarcÍa, Werner Kunz, and Juan Manuel GarcÍa-Ruiz)
What would happen to international politics if the dead rose from the grave and started to eat the living? Daniel Drezner's groundbreaking book answers the question that other international relations scholars have been too scared to ask. Addressing timely issues with analytical bite, Drezner looks at how well-known theories from international relations might be applied to a war with zombies. Exploring the plots of popular zombie films, songs, and books, Theories of International Politics and Zombies predicts realistic scenarios for the political stage in the face of a zombie threat and considers how valid—or how rotten—such scenarios might be. This newly revived edition includes substantial updates throughout as well as a new epilogue assessing the role of the zombie analogy in the public sphere.
The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years’ experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
In This Explains Everything, John Brockman, founder and publisher of Edge.org, asked experts in numerous fields and disciplines to come up with their favorite explanations for everyday occurrences. Why do we recognize patterns? Is there such a thing as positive stress? Are we genetically programmed to be in conflict with each other? Those are just some of the 150 questions that the world's best scientific minds answer with elegant simplicity. With contributions from Jared Diamond, Richard Dawkins, Nassim Taleb, Brian Eno, Steven Pinker, and more, everything is explained in fun, uncomplicated terms that make the most complex concepts easy to comprehend.
Semi-technical account includes a review of classical physics (origin of space and time measurements, Ptolemaic and Copernican astronomy, laws of motion, inertia, more) and of Einstein's theories of relativity.
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.
A practical approach to chemical reaction kinetics—from basic concepts to laboratory methods—featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. Takes a practical approach to chemical reaction kinetics basic concepts and methods Features numerous illustrative case studies based on the author’s extensive experience in the industry Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.
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.
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.
Creating a Better Future This book offers a concise, accessible guide to the key concepts and applications in Otto Scharmer's classic Theory U. Scharmer argues that our capacity to pay attention coshapes the world. What prevents us from attending to situations more effectively is that we aren't fully aware of that interior condition from which our attention and actions originate. Scharmer calls this lack of awareness our blind spot. He illuminates the blind spot in leadership today and offers hands-on methods to help change makers overcome it through the process, principles, and practices of Theory U. And he outlines a framework for updating the “operating systems” of our educational institutions, our economies, and our democracies. This book enables leaders and organizations in all industries and sectors to shift awareness, connect with the highest future possibilities, and strengthen the capacity to co-shape the future.