Tutorials In Molecular Reaction Dynamics

Author : Mark Brouard,Claire Vallance
Publisher : Royal Society of Chemistry
Page : 128 pages
File Size : 49,8 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.

Author : Raphael D. Levine
Publisher : Cambridge University Press
Page : 574 pages
File Size : 45,9 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.

Author : Niels E. Henriksen,Flemming Yssing Hansen
Publisher : Oxford Graduate Texts
Page : 458 pages
File Size : 54,8 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.

Author : Raphael D. Levine,Richard Barry Bernstein
Publisher : Oxford University Press, USA
Page : 535 pages
File Size : 40,5 Mb
Release : 1987
Category : Chemical reaction, Conditions and laws of
ISBN : 0195053958

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Molecular Reaction Dynamics and Chemical Reactivity by Raphael D. Levine,Richard Barry Bernstein Pdf

Author : Santosh K. Upadhyay
Publisher : Springer Science & Business Media
Page : 256 pages
File Size : 50,5 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.

Author : Niels E. Henriksen,Flemming Y. Hansen
Publisher : Oxford University Press on Demand
Page : 391 pages
File Size : 43,8 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.

Author : Raphael D. Levine
Publisher : Unknown
Page : 1250 pages
File Size : 40,7 Mb
Release : 1974
Category : Electronic
ISBN : OCLC:1123397495

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Molecular Reaction Dynamics by Raphael D. Levine Pdf

Author : A. Lagana,A. Riganelli
Publisher : Springer Science & Business Media
Page : 334 pages
File Size : 49,9 Mb
Release : 2000-11-27
Category : Science
ISBN : 3540412026

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Reaction and Molecular Dynamics by A. Lagana,A. Riganelli Pdf

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.

Author : Anonim
Publisher : Unknown
Page : 516 pages
File Size : 53,5 Mb
Release : 2000
Category : Electronic
ISBN : OCLC:437108229

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Molecular Reaction Dynamics by Anonim Pdf

Author : I. Smith
Publisher : Springer Science & Business Media
Page : 290 pages
File Size : 55,9 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.

Author : Paul L. Houston
Publisher : Courier Corporation
Page : 354 pages
File Size : 55,5 Mb
Release : 2012-10-10
Category : Science
ISBN : 9780486131696

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Chemical Kinetics and Reaction Dynamics by Paul L. Houston Pdf

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

Author : Xueming Yang,Kopin Liu
Publisher : World Scientific
Page : 539 pages
File Size : 53,6 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).

Author : Claire Vallance
Publisher : Morgan & Claypool Publishers
Page : 79 pages
File Size : 55,9 Mb
Release : 2017-09-28
Category : Science
ISBN : 9781681746647

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An Introduction to Chemical Kinetics by Claire Vallance Pdf

The book is a short primer on chemical reaction rates based on a six-lecture first-year undergraduate course taught by the author at the University of Oxford. The book explores the various factors that determine how fast or slowly a chemical reaction proceeds and describes a variety of experimental methods for measuring reaction rates. The link between the reaction rate and the sequence of steps that makes up the reaction mechanism is also investigated. Chemical reaction rates is a core topic in all undergraduate chemistry courses.

Author : Antonio Laganà,György Lendvay
Publisher : Springer Science & Business Media
Page : 498 pages
File Size : 41,7 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

Author : Tomas Baer,William L. Hase
Publisher : Oxford University Press
Page : 447 pages
File Size : 42,8 Mb
Release : 1996-06-27
Category : Science
ISBN : 9780195074949

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Unimolecular Reaction Dynamics by Tomas Baer,William L. Hase Pdf

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.