Dynamics Of Molecular Collisions

Author : W. Miller
Publisher : Springer Science & Business Media
Page : 391 pages
File Size : 53,6 Mb
Release : 2013-11-11
Category : Science
ISBN : 9781475706444

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Dynamics of Molecular Collisions by W. Miller Pdf

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.

Author : W. Miller
Publisher : Springer Science & Business Media
Page : 329 pages
File Size : 52,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461588672

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Dynamics of Molecular Collisions by W. Miller Pdf

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 here beginning about fifteen years ago 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 beam 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. The most relevant treatise then available to students was Mott and Massey's classic The Theory of Atomic Collisions, * but, as the title implies, it dealt only sparingly with the special features that arise when at least one of the collision partners is a molecule.

Author : W. Miller
Publisher : Springer
Page : 380 pages
File Size : 52,7 Mb
Release : 1976-12-01
Category : Science
ISBN : 0306335026

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Dynamics of Molecular Collisions by W. Miller Pdf

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.

Author : J.M. Bowman
Publisher : Springer Science & Business Media
Page : 167 pages
File Size : 49,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642819438

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Molecular Collision Dynamics by J.M. Bowman Pdf

This monograph covers a broad spectrum of topics in the very broad field of gas phase molecular collision dynamics. The Introduction previews each of the four fol lowing topics and attempts to sew them together with a common thread. In addition, a brief review of quantum reactive scattering is given there along with some gen eral remarks which highlight the difficulties in doing quantum reactive scatter ing calculations. The chapters are all written by theoreticians who are, of course, experts in the subjects they have written about. Three chapters, the ones by Secrest, Schatz, and the one by Schinke and Bowman deal with non-reactive atom-molecule scattering. Col lectively, they describe nearly the full breadth of scattering methods in use to day, from fully quantum mechanical to semiclassical and quasiclassical. The chapter by Baer is the only one dealing with quantum reactive scattering with the additional complexity of the coupling of two potential energy surfaces. The one simplifying feature of the treatment is that the reaction is constrained to be collinear. Overall, this monograph is mainly a review of the recent advances in the field of molecular collision dynamics, with, however, a considerable amount of new material. It is hoped that workers and students in the field will find reading the mono graph both enlightening and enjoyable.

Author : Raphael D. Levine
Publisher : Cambridge University Press
Page : 574 pages
File Size : 52,9 Mb
Release : 2009-06-04
Category : Technology & Engineering
ISBN : 1139442872

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Molecular Reaction Dynamics by Raphael D. Levine Pdf

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.

Author : Anonim
Publisher : Elsevier
Page : 460 pages
File Size : 42,7 Mb
Release : 1998-09-25
Category : Science
ISBN : 0080560792

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Advances in Molecular Vibrations and Collision Dynamics by Anonim Pdf

This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics. The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.

Author : M. S. Child
Publisher : Courier Corporation
Page : 326 pages
File Size : 55,9 Mb
Release : 2014-08-11
Category : Science
ISBN : 9780486150246

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Molecular Collision Theory by M. S. Child Pdf

This high-level monograph offers an excellent introduction to the theory required for interpretation of an increasingly sophisticated range of molecular scattering experiments. There are five helpful appendixes dealing with continuum wavefunctions, Green's functions, semi-classical connection formulae, curve-crossing in the momentum representation, and elements of classical mechanics. The contents of this volume have been chosen to emphasize the quantum mechanical and semi-classical nature of collision events, with little attention given to purely classical behavior. The treatment is essentially analytical. Some knowledge of the quantum mechanics of bound states is assumed.

Author : Raphael D. Levine,Richard Barry Bernstein
Publisher : Oxford University Press, USA
Page : 560 pages
File Size : 53,9 Mb
Release : 1987
Category : Science
ISBN : UOM:39015015997375

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Molecular Reaction Dynamics and Chemical Reactivity by Raphael D. Levine,Richard Barry Bernstein Pdf

This is a textbook for advanced undergraduate and graduate courses on kinetics or chemical physics. It deals with the molecular-level mechanism of elementary chemical reactions.

Author : Gabriel G. Balint-Kurti,Alexander P. Palov
Publisher : Royal Society of Chemistry
Page : 294 pages
File Size : 54,9 Mb
Release : 2015-07-03
Category : Science
ISBN : 9781849738309

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Theory of Molecular Collisions by Gabriel G. Balint-Kurti,Alexander P. Palov Pdf

Almost 100 years have passed since Trautz and Lewis put forward their collision theory of molecular processes. Today, knowledge of molecular collisions forms a key part of predicting and understanding chemical reactions. This book begins by setting out the classical and quantum theories of atom-atom collisions. Experimentally observable aspects of the scattering processes; their relationship to reaction rate constants and the experimental methods used to determine them are described. The quantum mechanical theory of reactive scattering is presented and related to experimental observables. The role of lasers in the measurement and analysis of reactive molecular collisions is also discussed. Written with postgraduates and newcomers to the field in mind, mathematics is kept to a minimum, and readers are guided to appendices and further reading to gain a deeper understanding of the mathematics involved.

Author : Richard Barry Bernstein
Publisher : Springer Science & Business Media
Page : 785 pages
File Size : 54,9 Mb
Release : 2013-11-11
Category : Science
ISBN : 9781461329138

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Atom - Molecule Collision Theory by Richard Barry Bernstein Pdf

The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi mental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics. One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great im portance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results. This "coming together" of the subject (and, incidentally, of physicists and chemists !), though still in an early stage, signals that the time is ripe for an appraisal and review of the theoretical basis of atom-molecule collisions. It is especially important for the experimentalist in the field to have a working knowledge of the theory and computational methods required to describe the experimentally observable behavior of the system. By now many of the alternative theoretical approaches and computational procedures have been tested and intercompared. More-or-Iess optimal methods for dealing with each aspect are emerging. In many cases working equations, even schematic algorithms, have been developed, with assumptions and caveats delineated.

Author : Mark Brouard,Claire Vallance
Publisher : Royal Society of Chemistry
Page : 128 pages
File Size : 53,7 Mb
Release : 2015-11-09
Category : Science
ISBN : 9781782626145

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Tutorials in Molecular Reaction Dynamics by Mark Brouard,Claire Vallance Pdf

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.

Author : Andreas Ernesti,Jeremy M. Hutson,Christine F. Roche
Publisher : Unknown
Page : 132 pages
File Size : 43,5 Mb
Release : 1995
Category : Atmosphere
ISBN : CHI:46165159

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Molecular Collisions in the Atmosphere by Andreas Ernesti,Jeremy M. Hutson,Christine F. Roche Pdf

Author : R. E. Johnson
Publisher : Springer Science & Business Media
Page : 294 pages
File Size : 45,7 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781468484489

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Introduction to Atomic and Molecular Collisions by R. E. Johnson Pdf

In working with graduate students in engineering physics at the University of Virginia on research problems in gas kinetics, radiation biology, ion materials interactions, and upper-atmosphere chemistry, it became quite apparent that there was no satisfactory text available to these students on atomic and molecular collisions. For graduate students in physics and quantum chemistry and researchers in atomic and molecular interactions there are a large number of excellent advanced texts. However, for students in applied science, who require some knowledge and understanding of col lision phenomena, such texts are of little use. These students often have some background in modern physics and/or chemistry but lack graduate level course work in quantum mechanics. Such students, however, tend to have a good intuitive grasp of classical mechanics and have been exposed to wave phenomena in some form (e. g. , electricity and magnetism, acoustics, etc. ). Further, their requirements in using collision processes and employing models do not generally include the use of formal scattering theory, a large fraction of the content of many advanced texts. In fact, most researchers who work in the area of atomic and molecular collisions tend to pride themselves on their ability to describe results using simple theoretical models based on classical and semiclassical methods.

Author : B C Eu
Publisher : Unknown
Page : 248 pages
File Size : 54,8 Mb
Release : 1983-11-01
Category : Electronic
ISBN : 3642881661

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Semiclassical Theories of Molecular Scattering by B C Eu Pdf

Author : Gabriel G Balint-Kurti,Alexander Palov
Publisher : Royal Society of Chemistry
Page : 282 pages
File Size : 48,6 Mb
Release : 2015-07-02
Category : Science
ISBN : 9781782620198

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Theory of Molecular Collisions by Gabriel G Balint-Kurti,Alexander Palov Pdf

Almost 100 years have passed since Trautz and Lewis put forward their collision theory of molecular processes. Today, knowledge of molecular collisions forms a key part of predicting and understanding chemical reactions. This book begins by setting out the classical and quantum theories of atom-atom collisions. Experimentally observable aspects of the scattering processes; their relationship to reaction rate constants and the experimental methods used to determine them are described. The quantum mechanical theory of reactive scattering is presented and related to experimental observables. The role of lasers in the measurement and analysis of reactive molecular collisions is also discussed. Written with postgraduates and newcomers to the field in mind, mathematics is kept to a minimum, and readers are guided to appendices and further reading to gain a deeper understanding of the mathematics involved.