molecular reaction dynamics

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Molecular Reaction Dynamics

Author : Raphael D. Levine
ISBN : 1139442872
Genre : Technology & Engineering
File Size : 61. 57 MB
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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.

Tutorials In Molecular Reaction Dynamics

Author : Mark Brouard
ISBN : 9781782626145
Genre : Science
File Size : 84. 59 MB
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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.

Theories Of Molecular Reaction Dynamics

Author : Niels E. Henriksen
ISBN : 9780199203864
Genre : Science
File Size : 88. 63 MB
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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.

Molecular Reaction Dynamics And Chemical Reactivity

Author : Raphael D. Levine
ISBN : UOM:39015015997375
Genre : Science
File Size : 31. 63 MB
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Focusing on one of the most productive areas of modern chemical research, this text describes the molecular-level mechanisms of elementary chemical reactions and presents the contributions of molecular beam and laser techniques. The authors assume a basic familiarity with physical chemistry as they guide the reader from well-known principles to state-of-the-art research results. The goal is an understanding of chemical reactivity and physical rate processes, from the fundamental, microscopic point of view, with emphasis on phenomena and their conceptual interpretation rather than the details of experimental techniques or theories. The authors have collaborated over many years and are the co-authors of the precursor volume Molecular Reaction Dynamics (Oxford University Press, 1974). This completely new work discusses the following topics: dynamics of molecular collisions; intermolecular potentials and potential energy surfaces; molecular and ion beam scattering; "direct" versus "complex" modes of reaction; reagent state selection and product analysis; energy partitioning and surprisal analysis; photofragmentation and multiphoton dissociation; electronic, vibrational, and rotational energy transfer; chemical lasers and laser chemistry; Van der Waals molecules and clusters; and stereospecific dynamics. An appropriate text for advanced courses in kinetics, physical chemistry or chemical physics, and also a timely reference source, Molecular Reaction Dynamics and Chemical Reactivity presents both fundamental principles and the latest developments in this rapidly advancing field.

Chemical Kinetics And Reaction Dynamics

Author : Paul L. Houston
ISBN : 9780486131696
Genre : Science
File Size : 71. 35 MB
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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

Unimolecular Reaction Dynamics

Author : Tomas Baer
ISBN : 0195360591
Genre : Science
File Size : 38. 72 MB
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This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.

Chemical Kinetics And Reaction Dynamics

Author : Santosh K. Upadhyay
ISBN : 9781402045479
Genre : Science
File Size : 39. 5 MB
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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.

Dynamics Of Molecules And Chemical Reactions

Author : Robert Wyatt
ISBN : 0824795385
Genre : Science
File Size : 23. 32 MB
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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.

Advances In Chemical Physics

Author : Michael Baer
ISBN : 0471532630
Genre : Chemistry, Physical and theoretical
File Size : 80. 4 MB
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Leading authorities engaged in experimental and theoretical studies of state-selected and state-to-state ion-molecule reaction dynamics present comprehensive analysis about a wide variety of topics in chemical physics. Studies of reaction dynamics are necessary for the basic understanding of ionic processes relevant to organic, inorganic atmosphere, interstellar, plasma and material chemicals. Consisting of 8 chapters, Part 1 deals with the experimental aspects of the material above. Part 2 comprises theoretical aspects of said subject matter.

Unimolecular And Bimolecular Ion Molecule Reaction Dynamics

Author : Cheuk-Yiu Ng
ISBN : UOM:39015032096318
Genre : Science
File Size : 81. 58 MB
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Unimolecular and Bimolecular Ion—Molecule Reaction Dynamics Cheuk-Yiu Ng, Ames Laboratory, Iowa State University, Iowa, USA Tomas Baer, University of North Carolina, NC, USA Ivan Powis, University of Nottingham, UK Recent advances in both experimental techniques and theoretical methodologies have meant that increasingly sophisticated studies concerning the formation, structures, energetics, and reaction dynamics of state- or energy-selected molecular ions can now be performed. In order to better serve the ion chemistry and physics community, each volume of this series will be dedicated to reviewing a specific topic, emphasizing new experimental and theoretical developments in the study of ions. This third volume is devoted to the study of unimolecular and bimolecular ionic processes. Special emphasis is given to studies related to planetary and interstellar ion chemistry and physics, the understanding of which has been a great impetus to the study of ion—molecule reactions. Each of the nine chapters making up this volume is written by a leading researcher in the respective field. This series will help stimulate new research directions and point to future opportunities in the fields of ion chemistry and physics.

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