Methods in Reaction Dynamics

Methods in Reaction Dynamics PDF

Author: W. Jakubetz

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 206

ISBN-13: 3642565115

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Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.

Chemical Kinetics and Reaction Dynamics

Chemical Kinetics and Reaction Dynamics PDF

Author: Santosh K. Upadhyay

Publisher: Springer Science & Business Media

Published: 2007-04-29

Total Pages: 256

ISBN-13: 1402045476

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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.

Modern Trends in Chemical Reaction Dynamics

Modern Trends in Chemical Reaction Dynamics PDF

Author: Xueming Yang

Publisher: World Scientific

Published: 2004

Total Pages: 539

ISBN-13: 9812389237

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Annotation Provides a detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. Topics include the Doppler-selected time-of-flight technique, multimass ion imaging, and photodissociation dynamics of free radicals.

Tutorials in Molecular Reaction Dynamics

Tutorials in Molecular Reaction Dynamics PDF

Author: Mark Brouard

Publisher: Royal Society of Chemistry

Published: 2015-11-09

Total Pages: 507

ISBN-13: 178262614X

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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.

Reaction Dynamics

Reaction Dynamics PDF

Author: N. Sathyamurthy

Publisher: Springer

Published: 1991

Total Pages: 224

ISBN-13:

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This volume depicts the recent advances in reaction dynamics with special emphasis on molecular beams and clusters, probing the transition state using femtosecond laser techniques, state-to-state photodissociation, chaos in chemical dynamics, gas-surface scattering and nonlinear laser techniques for probing liquid and solid surfaces.

Reaction Dynamics

Reaction Dynamics PDF

Author: I. Smith

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 290

ISBN-13: 1468435574

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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

Chemical Kinetics and Reaction Dynamics PDF

Author: Paul L. Houston

Publisher: Courier Corporation

Published: 2012-10-10

Total Pages: 354

ISBN-13: 0486131696

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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

Reaction and Molecular Dynamics

Reaction and Molecular Dynamics PDF

Author: A. Lagana

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 325

ISBN-13: 3642570518

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The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.

Theories of Molecular Reaction Dynamics

Theories of Molecular Reaction Dynamics PDF

Author: Niels E. Henriksen

Publisher: Oxford University Press, USA

Published: 2008

Total Pages: 391

ISBN-13: 0199203865

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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.

Modern Trends in Chemical Reaction Dynamics

Modern Trends in Chemical Reaction Dynamics PDF

Author: Xueming Yang

Publisher: World Scientific

Published: 2004

Total Pages: 653

ISBN-13: 9812565426

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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 published in twoparts (Parts I and II). The primary purpose of this review volume isto provide graduate students and experts in the field with a ratherdetailed picture of the current status of advanced experimental andtheoretical research in chemical reaction dynamics. All chapters inthese two parts have been written by world-renowned experts active insuch research.