Quantum Statistical Foundations Of Chemical Kinetics
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Quantum Statistical Foundations Of Chemical Kinetics
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Author : Sidney Golden
language : en
Publisher: Clarendon Press
Release Date : 1969
Quantum Statistical Foundations Of Chemical Kinetics written by Sidney Golden and has been published by Clarendon Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1969 with Science categories.
Quantum Statistical Basis Of Chemical Kinetics
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Author : Michael J. Sansone
language : en
Publisher:
Release Date : 1970
Quantum Statistical Basis Of Chemical Kinetics written by Michael J. Sansone and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with categories.
Theories Of Molecular Reaction Dynamics
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Author : Niels E. Henriksen
language : en
Publisher: Oxford Graduate Texts
Release Date : 2018
Theories Of Molecular Reaction Dynamics written by Niels E. Henriksen and has been published by Oxford Graduate Texts this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with Chemical reaction, Conditions and laws of categories.
This book deals with a central topic at the interface of chemistry and physics--the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. The emphasis is on concepts and insights obtained via analytical theories rather than computational and numerical aspects. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.
Theories Of Molecular Reaction Dynamics
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Author : Niels E. Henriksen
language : en
Publisher: OUP Oxford
Release Date : 2012-04-26
Theories Of Molecular Reaction Dynamics written by Niels E. Henriksen and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-04-26 with Science categories.
This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions.
The Foundations Of Chemical Kinetics
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Author : Sidney William Benson
language : en
Publisher:
Release Date : 1982
The Foundations Of Chemical Kinetics written by Sidney William Benson and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982 with Science categories.
Collision Theory And Statistical Theory Of Chemical Reactions
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Author : S. G. Christov
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Collision Theory And Statistical Theory Of Chemical Reactions written by S. G. Christov and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Since the discovery of quantum mechanics,more than fifty years ago,the theory of chemical reactivity has taken the first steps of its development. The knowledge of the electronic structure and the properties of atoms and molecules is the basis for an un derstanding of their interactions in the elementary act of any chemical process. The increasing information in this field during the last decades has stimulated the elaboration of the methods for evaluating the potential energy of the reacting systems as well as the creation of new methods for calculation of reaction probabili ties (or cross sections) and rate constants. An exact solution to these fundamental problems of theoretical chemistry based on quan tum mechanics and statistical physics, however, is still impossible even for the simplest chemical reactions. Therefore,different ap proximations have to be used in order to simplify one or the other side of the problem. At present, the basic approach in the theory of chemical reactivity consists in separating the motions of electrons and nu clei by making use of the Born-Oppenheimer adiabatic approximation to obtain electronic energy as an effective potential for nuclear motion. If the potential energy surface is known, one can calculate, in principle, the reaction probability for any given initial state of the system. The reaction rate is then obtained as an average of the reaction probabilities over all possible initial states of the reacting ~artic1es. In the different stages of this calculational scheme additional approximations are usually introduced.
Fundamental Chemical Kinetics
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Author : M R Wright
language : en
Publisher: Elsevier
Release Date : 1999-06-01
Fundamental Chemical Kinetics written by M R Wright and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-06-01 with Science categories.
The unusual approach of this text gives final honours and post-graduate students a clear and explanatory account of one of the “harder areas of physical chemistry. The author takes care to provide detailed verbal clarification of the concepts and their importance together with full explanations of the mathematical developments. Her explanations are an essential and vital feature of the text, which is scholarly, lucid and well-written with a combination of depth of coverage and clarity which helps students to work through on their own. A clear and explanatory account of one of the more difficult areas of physical chemistry Provides detailed verbal clarification of the concepts and their importance together with full explanations of the mathematical developments Discusses energy transfer, molecular beam studies of reactive scattering and historical developments and modern kinetics, among other topics
Basic Molecular Quantum Mechanics
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Author : Steven A. Adelman
language : en
Publisher: CRC Press
Release Date : 2021-08-01
Basic Molecular Quantum Mechanics written by Steven A. Adelman and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-08-01 with Science categories.
Quantum mechanics is a general theory of the motions, structures, properties, and behaviors of particles of atomic and subatomic dimensions. While quantum mechanics was created in the first third of the twentieth century by a handful of theoretical physicists working on a limited number of problems, it has further developed and is now applied by a great number of people working on a vast range of problems in wide areas of science and technology. Basic Molecular Quantum Mechanics introduces quantum mechanics by covering the fundamentals of quantum mechanics and some of its most important chemical applications: vibrational and rotational spectroscopy and electronic structure of atoms and molecules. Thoughtfully organized, the author builds up quantum mechanics systematically with each chapter preparing the student for the more advanced chapters and complex applications. Additional features include the following: This book presents rigorous and precise explanations of quantum mechanics and mathematical proofs. It contains qualitative discussions of key concepts with mathematics presented in the appendices. It provides problems and solutions at the end of each chapter to encourage understanding and application. This book is carefully written to emphasize its applications to chemistry and is a valuable resource for advanced undergraduates and beginning graduate students specializing in chemistry, in related fields such as chemical engineering and materials science, and in some areas of biology.
Foundations Of Classical And Quantum Statistical Mechanics
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Author : R. Jancel
language : en
Publisher: Elsevier
Release Date : 2013-10-22
Foundations Of Classical And Quantum Statistical Mechanics written by R. Jancel and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.
Foundations of Classical and Quantum Statistical Mechanics details the theoretical foundation the supports the concepts in classical and quantum statistical mechanics. The title discusses the various problems set by the theoretical justification of statistical mechanics methods. The text first covers the the ergodic theory in classical statistical mechanics, and then proceeds to tackling quantum mechanical ensembles. Next, the selection discusses the the ergodic theorem in quantum statistical mechanics and probability quantum ergodic theorems. The selection also details H-theorems and kinetic equations in classical and quantum statistical mechanics. The book will be of great interest to students, researchers, and practitioners of physics, chemistry, and engineering.
Chemical Kinetics And Transport
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Author : Peter Jordan
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Chemical Kinetics And Transport written by Peter Jordan and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
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.