Dynamics Of Molecules And Chemical Reactions

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Dynamics of Molecules and Chemical Reactions

Robert Wyatt
Dynamics of Molecules and Chemical Reactions Book PDF

Author : Robert Wyatt
Publisher : CRC Press
Page : 692 pages
File Size : 54,6 Mb
Release : 1996-06-27
Category : Science
ISBN : 0824795385

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Dynamics of Molecules and Chemical Reactions by Robert Wyatt Pdf

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.

Molecular Reaction Dynamics

Raphael D. Levine
Molecular Reaction Dynamics Book PDF

Author : Raphael D. Levine
Publisher : Cambridge University Press
Page : 574 pages
File Size : 46,7 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.

Theories of Molecular Reaction Dynamics

Niels E. Henriksen,Flemming Yssing Hansen
Theories of Molecular Reaction Dynamics Book PDF

Author : Niels E. Henriksen,Flemming Yssing Hansen
Publisher : Oxford Graduate Texts
Page : 458 pages
File Size : 48,9 Mb
Release : 2018
Category : Chemical reaction, Conditions and laws of
ISBN : 9780198805014

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Theories of Molecular Reaction Dynamics by Niels E. Henriksen,Flemming Yssing Hansen Pdf

This book deals with a central topic at the interface of chemistry and physics--the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. The emphasis is on concepts and insights obtained via analytical theories rather than computational and numerical aspects. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.

Theories of Molecular Reaction Dynamics

Niels E. Henriksen,Flemming Y. Hansen
Theories of Molecular Reaction Dynamics Book PDF

Author : Niels E. Henriksen,Flemming Y. Hansen
Publisher : Oxford University Press on Demand
Page : 391 pages
File Size : 42,5 Mb
Release : 2008
Category : Science
ISBN : 9780199203864

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Theories of Molecular Reaction Dynamics by Niels E. Henriksen,Flemming Y. Hansen Pdf

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.

Tutorials in Molecular Reaction Dynamics

Mark Brouard,Claire Vallance
Tutorials in Molecular Reaction Dynamics Book PDF

Author : Mark Brouard,Claire Vallance
Publisher : Royal Society of Chemistry
Page : 128 pages
File Size : 40,5 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.

Advances in Chemical Reaction Dynamics

Peter M. Rentzepis,Christos Capellos
Advances in Chemical Reaction Dynamics Book PDF

Author : Peter M. Rentzepis,Christos Capellos
Publisher : Springer Science & Business Media
Page : 608 pages
File Size : 51,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789400947344

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Advances in Chemical Reaction Dynamics by Peter M. Rentzepis,Christos Capellos Pdf

This book contains the formal lectures and contributed papers presented at the NATO Advanced Study Institute on. the Advances in Chemical Reaction Dynamics. The meeting convened at the city of Iraklion, Crete, Greece on 25 August 1985 and continued to 7 September 1985. The material presented describes the fundamental and recent advances in experimental and theoretical aspects of, reaction dynamics. A large section is devoted to electronically excited states, ionic species, and free radicals, relevant to chemical sys tems. In addition recent advances in gas phase polymerization, formation of clusters, and energy release processes in energetic materials were presented. Selected papers deal with topics such as the dynamics of electric field effects in low polar solutions, high electric field perturbations and relaxation of dipole equilibria, correlation in picosecond/laser pulse scattering, and applications to fast reaction dynamics. Picosecond transient Raman spectroscopy which has been used for the elucidation of reaction dynamics and structural changes occurring during the course of ultrafast chemical reactions; propagation of turbulent flames and detonations in gaseous· energetic systems are also discussed in some detail. In addition a large portion of the program was devoted to current experimental and theoretical studies of the structure of the transition state as inferred from product state distributions; translational energy release in the photodissociation of aromatic molecules; intramolecu lar and intraionic dynamic processes.

Modern Trends in Chemical Reaction Dynamics

Xueming Yang,Kopin Liu
Modern Trends in Chemical Reaction Dynamics Book PDF

Author : Xueming Yang,Kopin Liu
Publisher : World Scientific
Page : 653 pages
File Size : 49,6 Mb
Release : 2004
Category : Technology & Engineering
ISBN : 9789812385680

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Modern Trends in Chemical Reaction Dynamics by Xueming Yang,Kopin Liu Pdf

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.

Molecular Reaction Dynamics and Chemical Reactivity

Raphael D. Levine,Richard Barry Bernstein
Molecular Reaction Dynamics and Chemical Reactivity Book PDF

Author : Raphael D. Levine,Richard Barry Bernstein
Publisher : Oxford University Press, USA
Page : 560 pages
File Size : 43,7 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.

Vibrational Dynamics Of Molecules

Joel M Bowman
Vibrational Dynamics Of Molecules Book PDF

Author : Joel M Bowman
Publisher : World Scientific
Page : 603 pages
File Size : 52,5 Mb
Release : 2022-06-14
Category : Science
ISBN : 9789811237928

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Vibrational Dynamics Of Molecules by Joel M Bowman Pdf

Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.

Reaction Dynamics

I. Smith
Reaction Dynamics Book PDF

Author : I. Smith
Publisher : Springer Science & Business Media
Page : 290 pages
File Size : 54,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781468435573

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Reaction Dynamics by I. Smith Pdf

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.

Chemical Kinetics and Reaction Dynamics

Santosh K. Upadhyay
Chemical Kinetics and Reaction Dynamics Book PDF

Author : Santosh K. Upadhyay
Publisher : Springer Science & Business Media
Page : 256 pages
File Size : 49,5 Mb
Release : 2007-04-29
Category : Science
ISBN : 9781402045479

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Chemical Kinetics and Reaction Dynamics by Santosh K. Upadhyay Pdf

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

Xueming Yang,Kopin Liu
Modern Trends in Chemical Reaction Dynamics Book PDF

Author : Xueming Yang,Kopin Liu
Publisher : World Scientific
Page : 539 pages
File Size : 52,6 Mb
Release : 2004
Category : Science
ISBN : 9789812565808

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Modern Trends in Chemical Reaction Dynamics by Xueming Yang,Kopin Liu Pdf

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).

Potential Energy Surfaces and Dynamics Calculations

Donald Truhlar
Potential Energy Surfaces and Dynamics Calculations Book PDF

Author : Donald Truhlar
Publisher : Springer Science & Business Media
Page : 859 pages
File Size : 54,7 Mb
Release : 2013-11-11
Category : Science
ISBN : 9781475717358

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Potential Energy Surfaces and Dynamics Calculations by Donald Truhlar Pdf

The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.

Theory of Chemical Reaction Dynamics

Antonio Laganà,György Lendvay
Theory of Chemical Reaction Dynamics Book PDF

Author : Antonio Laganà,György Lendvay
Publisher : Springer Science & Business Media
Page : 498 pages
File Size : 54,5 Mb
Release : 2006-03-28
Category : Science
ISBN : 9781402021657

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Theory of Chemical Reaction Dynamics by Antonio Laganà,György Lendvay Pdf

Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003

Dynamics of Molecular Collisions

W. Miller
Dynamics of Molecular Collisions Book PDF

Author : W. Miller
Publisher : Springer Science & Business Media
Page : 391 pages
File Size : 45,8 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.