Molecular Collision Theory

Author : M. S. Child
Publisher : Courier Corporation
Page : 326 pages
File Size : 53,9 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 : W. Miller
Publisher : Springer Science & Business Media
Page : 391 pages
File Size : 48,7 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 : Richard Barry Bernstein
Publisher : Springer Science & Business Media
Page : 785 pages
File Size : 52,8 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 : Paul Flowers,Richard Langely,William R. Robinson,Klaus Hellmut Theopold
Publisher : Unknown
Page : 0 pages
File Size : 45,8 Mb
Release : 2019-02-14
Category : Chemistry
ISBN : 194717262X

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Chemistry 2e by Paul Flowers,Richard Langely,William R. Robinson,Klaus Hellmut Theopold Pdf

Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.

Author : Gabriel G. Balint-Kurti,Alexander P. Palov
Publisher : Royal Society of Chemistry
Page : 294 pages
File Size : 41,7 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 : W. Miller
Publisher : Springer Science & Business Media
Page : 329 pages
File Size : 43,9 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 : S. G. Christov
Publisher : Springer Science & Business Media
Page : 336 pages
File Size : 40,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642931420

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Collision Theory and Statistical Theory of Chemical Reactions by S. G. Christov Pdf

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.

Author : Richard Barry Bernstein
Publisher : Springer
Page : 779 pages
File Size : 48,8 Mb
Release : 2013-06-14
Category : Science
ISBN : 1461329140

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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 : Franco A. Gianturco
Publisher : Springer Science & Business Media
Page : 508 pages
File Size : 44,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461333128

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Atomic and Molecular Collision Theory by Franco A. Gianturco Pdf

Until recently, the field of atomic and molecular collisions was left to a handful of practitioners who essentially explored it as a branch of atomic physics and gathered their experimental re sults mainly from spectroscopy measurements in bulk. But in the past ten years or so, all of this has dramatically changed, and we are now witnessing the rapid growth of a large body of research that encompasses the simplest atoms as well as the largest mole cules, that looks at a wide variety of phenomena well outside purely spectroscopic observation, and that finds applications in an unexpectedly broad range of physico-chemical and physical pro cesses. The latter are in turn surprisingly close to very important sectors of applied research, such as the modeling of molecular lasers, the study of isotope separation techniques, and the energy losses in confined plasmas, to mention just a few of them. As a consequence of this healthy state of affairs, greatly diversified research pathways have developed; however, their specialized problems are increasingly at risk of being viewed in isolation, although they are part of a major and extended branch of physics or chemistry. This is particularly true when it comes to the theory of this work -- where well-established methods and models of one subfield are practically unknown to researchers in other subfields -- and, consequently, the danger of wasteful duplication arising is quite real.

Author : W. Miller
Publisher : Springer
Page : 380 pages
File Size : 46,9 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 : R. Daudel,A. Pullman,L. Salem,A. Veillard
Publisher : Springer Science & Business Media
Page : 249 pages
File Size : 41,6 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789400995161

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Quantum Theory of Chemical Reactions by R. Daudel,A. Pullman,L. Salem,A. Veillard Pdf

This treatise is devoted to an analysis of the present state of the quantum theory of chemical reactions. It will be divided into three volumes and will contain the contributions to an international seminar organized by the editors. The first one, is concerned with the fundamental problems which occur when studying a gas phase reaction or a reaction for which the solvent effect is not taken into account. The two first papers show how the collision theory can be used to predict the behaviour of interacting small molecules. For large molecules the complete calculations are not possible. We can only estimate the reaction path by calculating important areas of the potential surfaces. Four papers are concerned with this important pro cess. Furthermore, in one of these, the electronic reorganization which occurs along the reaction path is carefully analyzed. ~~o papers are devoted to the discussion of general rules as aromaticity rules, symmetry rules. The last two papers are concerned with the electrostatic molecular poten tial method which is the modern way of using static indices to establish relations between structure and chemical reactivity. Volume II will be devoted to a detailed analysis of the role of the solvent and volume III will present important applications as reaction mechanisms, photochemistry, catalysis, biochemical reactions and drug design. SOME RECENT DEVELOPMENTS IN THE MOLECULAR TREATMENT OF ATOM-ATOM COLLISIONS.

Author : S.P. Khare
Publisher : Springer Science & Business Media
Page : 362 pages
File Size : 46,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461506119

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Introduction to the Theory of Collisions of Electrons with Atoms and Molecules by S.P. Khare Pdf

An understanding of the collisions between micro particles is of great importance for the number of fields belonging to physics, chemistry, astrophysics, biophysics etc. The present book, a theory for electron-atom and molecule collisions is developed using non-relativistic quantum mechanics in a systematic and lucid manner. The scattering theory is an essential part of the quantum mechanics course of all universities. During the last 30 years, the author has lectured on the topics presented in this book (collisions physics, photon-atom collisions, electron-atom and electron-molecule collisions, "electron-photon delayed coincidence technique", etc.) at many institutions including Wayne State University, Detroit, MI, The University of Western Ontario, Canada, and The Meerut University, India. The present book is the outcome of those lectures and is written to serve as a textbook for post-graduate and pre-PhD students and as a reference book for researchers.

Author : Franco A Gianturco
Publisher : Unknown
Page : 520 pages
File Size : 41,6 Mb
Release : 1982-03-01
Category : Electronic
ISBN : 146133313X

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Atomic and Molecular Collision Theory by Franco A Gianturco Pdf

Author : E.E. Nikitin,S.Y. Umanskii
Publisher : Springer Science & Business Media
Page : 445 pages
File Size : 45,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642820458

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Theory of Slow Atomic Collisions by E.E. Nikitin,S.Y. Umanskii Pdf

The theory of atom-molecule collisions is one of the basic fields in chemi cal physics. Its most challenging part - the dynamics of chemical reactions - is as yet unresolved, but is developing very quickly. It is here a great help to have an analysis of those parts of collision theory which are already complete, a good example being the theory of atomic collisions in process es specific to chemical physics. It has long been observed that many notions of this theory can also be applied successfully to reactive and unreactive molecular collisions. More over, atomic collisions often represent a touchstone in testing approaches proposed for the solution of more complicated problems. Research on the theory of slow atomic collisions carried out at the Moscow Institute of Chemical Physics has been based on just these ideas. A general viewpoint concerning the setting up and representation of the theory came out of these studies, and appeared to be useful in studying complicated systems as well. It underlies the representation of the theory of slow atomic colli sions in this book.

Author : Philip George Burke
Publisher : Springer Science & Business Media
Page : 746 pages
File Size : 44,9 Mb
Release : 2011-03-28
Category : Science
ISBN : 9783642159312

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R-Matrix Theory of Atomic Collisions by Philip George Burke Pdf

Commencing with a self-contained overview of atomic collision theory, this monograph presents recent developments of R-matrix theory and its applications to a wide-range of atomic molecular and optical processes. These developments include the electron and photon collisions with atoms, ions and molecules which are required in the analysis of laboratory and astrophysical plasmas, multiphoton processes required in the analysis of superintense laser interactions with atoms and molecules and positron collisions with atoms and molecules required in antimatter studies of scientific and technologial importance. Basic mathematical results and general and widely used R-matrix computer programs are summarized in the appendices.