Molecular Reaction Dynamics

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Author: Raphael D. Levine

Publisher: Cambridge University Press

ISBN: 9781139442879

Category: Technology & Engineering

Page: N.A

View: 9572

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

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Author: Mark Brouard,Claire Vallance

Publisher: Royal Society of Chemistry

ISBN: 178262614X

Category: Science

Page: N.A

View: 1905

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.

Molecular Reaction Dynamics and Chemical Reactivity

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Author: Raphael D. Levine

Publisher: Oxford University Press, USA

ISBN: N.A

Category: Science

Page: 535

View: 8014

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.

Theories of Molecular Reaction Dynamics

The Microscopic Foundation of Chemical Kinetics

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Author: Niels E. Henriksen,Flemming Y. Hansen

Publisher: Oxford University Press

ISBN: 0192527207

Category: Science

Page: 544

View: 8837

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.

State Selected and State to State Ion Molecule Reaction Dynamics, Part 1

Experiment

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Author: Cheuk-Yiu Ng,Michael Baer

Publisher: John Wiley & Sons

ISBN: 0470141921

Category: Technology & Engineering

Page: 704

View: 2354

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.

State-selected and State-to-state Ion-molecule Reaction Dynamics

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Author: Cheuk-Yiu Ng,Michael Baer

Publisher: John Wiley & Sons

ISBN: 9780471532637

Category: Chemistry, Physical and theoretical

Page: 561

View: 5431

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.

Heterogeneous Reaction Dynamics

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Author: S. Bernasek

Publisher: John Wiley & Sons

ISBN: 9780471185475

Category: Science

Page: 158

View: 1749

This is an in-depth monograph covering the topic of energy transfer and reactions on solid surfaces. This topic is of great interest now because of its applications to catalysis and solid-state electronics, including the manufacture of semiconductors, integrated circuits and other solid state devices. Initially it describes what is meant by heterogenous reaction dynamics. Basically, this is the study, on a molecular level, of the elementary dynamics of energy transfer and reactions at surface. The emphasis of the book will be on well characterized solid surfaces. Energy transfer and reactions are broadly defined to include phase transitions in adsorbed layers, diffusion, the absorption process itself, and energy transfer between adsorbate and subtrate, as well as gas-surface energy transfer, catalytic and oxidative type surface reactions.

Chemical Kinetics and Reaction Dynamics

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Author: Santosh K. Upadhyay

Publisher: Springer Science & Business Media

ISBN: 1402045476

Category: Science

Page: 256

View: 9029

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.

Chemical Kinetics and Reaction Dynamics

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Author: Paul L. Houston

Publisher: Courier Corporation

ISBN: 0486131696

Category: Science

Page: 352

View: 7881

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