Theories of Molecular Reaction Dynamics

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Publisher : Oxford University Press on Demand
ISBN 13 : 0199203865
Total Pages : 391 pages
Book Rating : 4.1/5 (992 download)

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Book Synopsis Theories of Molecular Reaction Dynamics by : Niels E. Henriksen

Download or read book Theories of Molecular Reaction Dynamics written by Niels E. Henriksen and published by Oxford University Press on Demand. This book was released on 2008 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive 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.

Theory of Chemical Reaction Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 1402021658
Total Pages : 498 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Theory of Chemical Reaction Dynamics by : Antonio Laganà

Download or read book Theory of Chemical Reaction Dynamics written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2006-03-28 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003

The Theory of Chemical Reaction Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 940094618X
Total Pages : 420 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis The Theory of Chemical Reaction Dynamics by : D.C. Clary

Download or read book The Theory of Chemical Reaction Dynamics written by D.C. Clary and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.

Theories of Molecular Reaction Dynamics

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Publisher : Oxford Graduate Texts
ISBN 13 : 0198805012
Total Pages : 458 pages
Book Rating : 4.1/5 (988 download)

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Book Synopsis Theories of Molecular Reaction Dynamics by : Niels E. Henriksen

Download or read book Theories of Molecular Reaction Dynamics written by Niels E. Henriksen and published by Oxford Graduate Texts. This book was released on 2018 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Reaction Dynamics

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Publisher : Cambridge University Press
ISBN 13 : 9781139442879
Total Pages : 574 pages
Book Rating : 4.4/5 (428 download)

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Book Synopsis Molecular Reaction Dynamics by : Raphael D. Levine

Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemical Kinetics and Reaction Dynamics

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Publisher : Courier Corporation
ISBN 13 : 0486131696
Total Pages : 354 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Chemical Kinetics and Reaction Dynamics by : Paul L. Houston

Download or read book Chemical Kinetics and Reaction Dynamics written by Paul L. Houston and published by Courier Corporation. This book was released on 2012-10-10 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div

Modern Trends in Chemical Reaction Dynamics

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Publisher : World Scientific
ISBN 13 : 9814485268
Total Pages : 652 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Modern Trends in Chemical Reaction Dynamics by : Xueming Yang

Download or read book Modern Trends in Chemical Reaction Dynamics written by Xueming Yang and published by World Scientific. This book was released on 2004-03-09 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt: ' The field of chemical reaction dynamics has made tremendous progress during the last decade or so. This is due largely to the development of many new, state-of-the-art experimental and theoretical techniques during that period. It is beneficial to present these advances, both theoretical and experimental, in a review volume published in two parts (Parts I and II). The primary purpose of this review volume is to provide graduate students and experts in the field with a rather detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. All chapters in these two parts have been written by world-renowned experts active in such research. Contents:Multiple Channel Reaction Dynamics Using Universal Crossed Molecular Beam Techniques (X-M Yang)Ion Imaging Applied to the Study of Chemical Dynamics (D W Chandler & J I Cline)The Dynamics of Hydrogen Atom Abstraction from Polyatomic Molecules (X-H Liu & A G Suits)Ab Initio Potential Energy Surfaces of Large Reaction Systems (A M Mebel)Theoretical Dynamics Treatment of Chemical Reactions (J Z H Zhang et al.)Quasiclassical Trajectory Studies of Four-Atom Reactions (D Troya et al.)Recent Developments in Statistical Rate Theory for Unimolecular and Complex-Forming Reactions (S C Smith)Non-Born-Oppenheimer Chemistry: Potential Surfaces, Couplings, and Dynamics (A W Jasper et al.)Semiclassical Theory of Nonadiabatic Transition and Tunneling (C-Y Zhu)Transition State Spectroscopy (D M Neumark)Coincidence Imaging Techniques (R E Continetti & C C Hayden)Time-Resolved Photoelectron Spectroscopy and Imaging (T Suzuki)Manipulating Cold Molecules with Nonresonant Fields (B Friedrich) Readership: Undergraduate and graduate students in chemistry as well as atomic and molecular physics; researchers in physical chemistry. Keywords:Physical Chemistry;Chemical Physics;Molecular Physics;Chemical Reaction Dynamics;Molecular Dynamics;Quantum Dynamics;Photochemistry;Theoretical ChemistryReviews:“This volume will be an important resource for a diverse community of scholars for some time to come. Equations, schemes, and figures are of high quality and free of typographical errors. Each chapter is extensively referenced, with the bulk of the references occurring from 1998 to 2002. The problems chosen for study in this volume span a range of new and exciting intellectual pursuits at the forefront of research in chemical reaction dynamics.”Journal of the American Chemical Society '

Modern Trends in Chemical Reaction Dynamics

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Publisher : World Scientific
ISBN 13 : 9812385681
Total Pages : 653 pages
Book Rating : 4.8/5 (123 download)

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Book Synopsis Modern Trends in Chemical Reaction Dynamics by : Xueming Yang

Download or read book Modern Trends in Chemical Reaction Dynamics written by Xueming Yang and published by World Scientific. This book was released on 2004 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemical reaction dynamics has made huge progress during the last decade or so. The aim of these volumes is to provide graduate students and experts in the field with a picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics.

Chemical Kinetics and Reaction Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 1402045476
Total Pages : 256 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Chemical Kinetics and Reaction Dynamics by : Santosh K. Upadhyay

Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

Modern Trends in Chemical Reaction Dynamics

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Publisher : World Scientific
ISBN 13 : 9812565809
Total Pages : 539 pages
Book Rating : 4.8/5 (125 download)

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Book Synopsis Modern Trends in Chemical Reaction Dynamics by : Xueming Yang

Download or read book Modern Trends in Chemical Reaction Dynamics written by Xueming Yang and published by World Scientific. This book was released on 2004 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemical reaction dynamics has made tremendous progressduring the last decade or so. This is due largely to the developmentof many new, state-of-the-art experimental and theoretical techniquesduring that period. It is beneficial to present these advances, boththeoretical and experimental, in a review volume (Parts I and II).

Dynamics of Molecules and Chemical Reactions

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Publisher : CRC Press
ISBN 13 : 9780824795382
Total Pages : 692 pages
Book Rating : 4.7/5 (953 download)

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Book Synopsis Dynamics of Molecules and Chemical Reactions by : Robert Wyatt

Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.

The Theory of Chemical Reaction Dynamics

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Publisher :
ISBN 13 : 9789400946194
Total Pages : 432 pages
Book Rating : 4.9/5 (461 download)

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Book Synopsis The Theory of Chemical Reaction Dynamics by : D. C. Clary

Download or read book The Theory of Chemical Reaction Dynamics written by D. C. Clary and published by . This book was released on 1986-03-31 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dynamics of Molecular Collisions

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Publisher : Springer Science & Business Media
ISBN 13 : 1475706448
Total Pages : 391 pages
Book Rating : 4.4/5 (757 download)

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Book Synopsis Dynamics of Molecular Collisions by : W. Miller

Download or read book Dynamics of Molecular Collisions written by W. Miller and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration he re beginning about fifteen years aga when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an interest among chemists in scattering theory, the molecular level description of a bimolecular collision process. Many other new and also powerful experimental techniques have evolved to supplement the molecular be am method, and the resulting wealth of new information about chemical dynamics has generated the present intense activity in molecular collision theory. During the early years when chemists were first becoming acquainted with scattering theory, it was mainly a matter of reading the physics literature because scattering experiments have long been the staple of that field. It was natural to apply the approximations and models that had been developed for nuclear and elementary particle physics, and although some of them were useful in describing molecular collision phenomena, many were not.

Reaction Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 1468435574
Total Pages : 290 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Reaction Dynamics by : I. Smith

Download or read book Reaction Dynamics written by I. Smith and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last 30 years our knowledge and understanding of molecular processes has followed the development of increasingly sophisticated tech niques for studying fast reactions. Although the results are reported in papers and reviews, it is sometimes difficult for those not themselves active in these fields to find their way through the mass of published material. We hope that each book in this series will present a clear account of the present state of knowledge in a particular field of physical chemistry to research workers in related fields, to research students, and for the preparation of undergraduate and post-graduate lectures. Each chapter describes the theoretical develop ment of one area of study and the appropriate experimental techniques; the results presented are chosen to illustrate the theory rather than to attempt a comprehensive review. The first volume published in 1972 was concerned with the reactions of small molecules and free radicals in the gas phase. The development of flash photolysis in the 1950s paved the way by making it possible to generate free radicals in sufficient concentration for a spectroscopic" snapshot" to reveal their molecular structure. Their role in kinetic systems could then be followed directly, rather than be inferred from mechanism. The shock tube enabled gas mixtures to be heated to any desired temperature in a time which was shorter than subsequent chemical reactions. Discharge-flow methods enabled the reactions of atoms and free radicals to be studied directly.

Tutorials in Molecular Reaction Dynamics

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Publisher : Royal Society of Chemistry
ISBN 13 : 178262614X
Total Pages : pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Tutorials in Molecular Reaction Dynamics by : Mark Brouard

Download or read book Tutorials in Molecular Reaction Dynamics written by Mark Brouard and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

Reaction Rate Theory and Rare Events

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Publisher : Elsevier
ISBN 13 : 0444594701
Total Pages : 634 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Reaction Rate Theory and Rare Events by : Baron Peters

Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

THEORY CHEM REACT DYN

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Author :
Publisher : CRC-Press
ISBN 13 : 9780849361166
Total Pages : 0 pages
Book Rating : 4.3/5 (611 download)

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Book Synopsis THEORY CHEM REACT DYN by :

Download or read book THEORY CHEM REACT DYN written by and published by CRC-Press. This book was released on 1985-11-19 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: