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 : 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.

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.

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

Methods in Reaction Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 3642565115
Total Pages : 195 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Methods in Reaction Dynamics by : W. Jakubetz

Download or read book Methods in Reaction Dynamics written by W. Jakubetz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.

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.

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

Femtochemistry VII

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Publisher : Elsevier
ISBN 13 : 0080466826
Total Pages : 611 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Femtochemistry VII by : Michele Kimble

Download or read book Femtochemistry VII written by Michele Kimble and published by Elsevier. This book was released on 2006-10-03 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: Femtochemistry VII presents the most recent developments in femtochemistry and highlights the significance of the field today. This book contains extracts from the proceedings, presentations and posters from the Femtochemistry VII conference, held in Washington D.C., on July 17-22, 2005. The stimulating conference was opened by Professor Ahmed Zewail (1999 Nobel Prize Winner), and as was evident by the attendees at the conference, had a very active program with the presentation of numerous talks and a large number of posters. This collection of papers reflects the remarkable progress that has been made in femtosecond spectroscopy, and especially to its emergence as a field of research devoted to chemistry and biology, giving rise to femtochemistry and femtobiology. Subjects covered include imaging, structural dynamics, and spectroscopies, fundamentals of reaction dynamics, salvation phenomenta, liquids and interfaces, aggregates/particles/surfaces, protein dynamics and photobiology, quantum control, and intense laser-matter interactions. Subjects covered by this book include imaging, structural dynamics, and spectroscopies; fundamentals of reaction dynamics; salvation phenomenta; liquids and interfaces; aggregates/particles/surfaces; protein dynamics and photobiology; quantum control; and intense laser-matter interactions. This book would appeal to chemists, physicists and biologists in the fields of atomic and molecular science. * Contains the most recent developments in Femtochemistry from the Femtochemistry VII conference* Highlights the significance of femtochemistry today* Displays extracts from the proceedings, presentations and posters from the conference

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 Dynamics

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Publisher : Springer
ISBN 13 :
Total Pages : 224 pages
Book Rating : 4.:/5 (44 download)

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Book Synopsis Reaction Dynamics by : N. Sathyamurthy

Download or read book Reaction Dynamics written by N. Sathyamurthy and published by Springer. This book was released on 1991 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume depicts the recent advances in reaction dynamics with special emphasis on molecular beams and clusters, probing the transition state using femtosecond laser techniques, state-to-state photodissociation, chaos in chemical dynamics, gas-surface scattering and nonlinear laser techniques for probing liquid and solid surfaces.

State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 1

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Publisher : John Wiley & Sons
ISBN 13 : 0470141921
Total Pages : 702 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 1 by : Cheuk-Yiu Ng

Download or read book State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 1 written by Cheuk-Yiu Ng and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: State-Selected and State-to-State Ion-Molecules Reaction Dynamics details the recent experimental and theoretical accomplishments in the field to date by some of its foremost researchers and theorists. Divided into two parts, each of which separately describe the experimental and theoretical aspects of the field, State-Selected and State-to-State Ion-Molecule Reaction Dynamics is an accessible, well organized look at a highly useful and emerging chemical specialty. Part 1, "Experiment," contains eight in-depth studies, which illustrate the key experimental work being done in the field today: Chapter 1 provide a comprehensive review of the theory and application of inhomogeneous rf fields for the study of the dynamics of low-energy ion-molecules processes Chapter 2 describes the application of multiphoton ionization (MPI) for the preparation of reactant ion states Chapter 3 reviews the application of MPI schemes for state specific cross-section measurements involving transition metal cations Chapter 4 describes the development of the threshold photoelectron secondary ion coincidence (TESICO) method Chapter 5 presents the conceptual and practical aspects of a multicoincidence technique Chapter 6 details the experimental results obtained using the photoionization and differential reactivity methods Chapter 7 reviews the several recent crossed beam studies of charge transfer and collision-induced dissociation systems involving atomic and molecular ions Chapter 8 is a survey of 15 years of high resolution crossed beam scattering of protons with atoms, diatoms, and poly-atomic molecules State-Selected and State-to-State Ion-Molecule Reaction Dynamics, Part 1: Experiment offers professionals a true state-of-the-science look at this fascinating and increasingly influential subject.

Reaction and Molecular Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 3642570518
Total Pages : 325 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Reaction and Molecular Dynamics by : A. Lagana

Download or read book Reaction and Molecular Dynamics written by A. Lagana and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.

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

Chemical Kinetics and Dynamics

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Publisher : Pearson
ISBN 13 :
Total Pages : 536 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Chemical Kinetics and Dynamics by : Jeffrey I. Steinfeld

Download or read book Chemical Kinetics and Dynamics written by Jeffrey I. Steinfeld and published by Pearson. This book was released on 1999 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents a balanced presentation of the macroscopic view of empirical kinetics and the microscopic molecular viewpoint of chemical dynamics. This second edition includes the latest information, as well as new topics such as heterogeneous reactions in atmospheric chemistry, reactant product imaging, and molecular dynamics of H + H2.

Reaction Dynamics

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Publisher : OUP Oxford
ISBN 13 : 9780198559078
Total Pages : 86 pages
Book Rating : 4.5/5 (59 download)

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Book Synopsis Reaction Dynamics by : M. Brouard

Download or read book Reaction Dynamics written by M. Brouard and published by OUP Oxford. This book was released on 1998-06-25 with total page 86 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the factors which determine the rates and products of elementary reactions is of fundamental importance to chemists. This informative book contains a concise introductory account of the theoretical framework and experimental methods used to elucidate the detailed mechanism of gas phase elementary reactions.

Chemical Reaction Kinetics

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Publisher : John Wiley & Sons
ISBN 13 : 1119226651
Total Pages : 304 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Chemical Reaction Kinetics by : Jorge Ancheyta

Download or read book Chemical Reaction Kinetics written by Jorge Ancheyta and published by John Wiley & Sons. This book was released on 2017-06-05 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.