Application Of Transition State Theory To Unimolecular Reactions
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Application Of Transition State Theory To Unimolecular Reactions
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Author : John Herbert Beynon
language : en
Publisher: John Wiley & Sons
Release Date : 1984
Application Of Transition State Theory To Unimolecular Reactions written by John Herbert Beynon and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1984 with Science categories.
Application Of Transition State Theory To Unimolecular Reactions
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Author : John H. Beynon
language : en
Publisher:
Release Date :
Application Of Transition State Theory To Unimolecular Reactions written by John H. Beynon and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
Transition State
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Author : Takayuki Fueno
language : en
Publisher: CRC Press
Release Date : 2019-08-16
Transition State written by Takayuki Fueno and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-08-16 with Science categories.
The transition state is the critical configuration of a reaction system situated at the highest point of the most favorable reaction path on the potential-energy surface, its characteristics governing the dynamic behavior of reacting systems decisively. This text presents an accurate survey of current theoretical investigations of chemical reactions, with a focus on the nature of the transition state. Its scope ranges from general basic theories associated with the transition states, to their computer-assisted applications, through to a number of reactions in a state-of-the-art fashion. It covers various types of gas-phase elementary reactions, as well as some specific types of chemical processes taking place in the liquid phase. Also investigated is the recently developing transition state spectroscopy. This text will not only serve as a contemporary reference book on the concept of the transition state, but will also assist the readers in gaining valuable key principles regarding the essence of chemical kinetics and dynamics.
Unimolecular Reactions
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Author : Kenneth A. Holbrook
language : en
Publisher: John Wiley & Sons
Release Date : 1996-07-10
Unimolecular Reactions written by Kenneth A. Holbrook and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-07-10 with Science categories.
Representing major advances in this area of gas kinetics in the last twenty-five years, Unimolecular Reactions has been considerably rewritten to include important recent progress in both theory and experiment. New chapters cover the treatment of reactions with 'loose' transition states, the Master equation, and the approximate forms of Statistical Adiabatic Channel Theory. Extensive illustrations highlight both established activation methods and newer techniques such as the use of infrared and UV lasers, overtone excitation, molecular beam experiments and mass spectrometric methods.
Theories Of Molecular Reaction Dynamics
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Author : Niels E. Henriksen
language : en
Publisher: Oxford Graduate Texts
Release Date : 2018
Theories Of Molecular Reaction Dynamics written by Niels E. Henriksen and has been published by Oxford Graduate Texts this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with Chemical reaction, Conditions and laws of categories.
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.
Theory Of Unimolecular Reactions
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Author : Wendell Forst
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Theory Of Unimolecular Reactions written by Wendell Forst and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Theory of Unimolecular Reactions provides a comprehensive analysis of the theory of unimolecular reactions, also known to kineticists as the Rice-Marcus or the Rice-Ramsperger-Kassel-Marcus theory, and to those working in mass spectrometry and related fields as the quasi-equilibrium theory or the theory of mass spectra. This book demonstrates how theoretical parameters are related to experimental observables and describes the methods that are used to obtain useful numerical answers. This monograph consists of 11 chapters and begins by explaining the derivation of the expression for the basic rate k(E), with emphasis on the unimolecular rate constant, intramolecular energy transfer, and potential energy surfaces in unimolecular reactions. The statistical calculation of unimolecular rate under vibrational potential is also given, along with pertinent degrees of freedom. The remaining chapters explore the energy distribution functions appropriate to each system, the averaging of k(E), and the relations between theoretical and experimental parameters. Thermal reactions, chemical activation systems, and the theory of mass spectra are examined. The last chapter is devoted to the transition state and its ambiguities. This text will be of interest to gas kineticists, mass spectrometrists, and students and researchers working in the field of physical chemistry.
Variational Transition State Theory
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Author : D. G. Truhlar
language : en
Publisher:
Release Date : 1984
Variational Transition State Theory written by D. G. Truhlar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1984 with categories.
Transition state theory (TST) is the most widely used theory for calculating rates of bimolecular reactions occurring in the gas phase and in condensed phases. TST is also incorporated into the widely used RRKM theory for unimolecular reactions. The popularity of TST is largely due to its simplicity and its usefulness for correlating trends in reaction rates in terms of easily interpreted quantities. Several forms of variational transition state theory (VTST) have been proposed, one as early as 1937; however, until recently, most applications of TST have been limited to the conventional (nonvariational) formulation. Keywords include: Variational transition state theory, Tunneling, Vibrationally, Adiabatic barriers, State-selected reactions, Reactive resonances, and Vibrational bonding.
Unimolecular Reaction Dynamics
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Author : Tomas Baer
language : en
Publisher: Oxford University Press
Release Date : 1996-06-27
Unimolecular Reaction Dynamics written by Tomas Baer and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-06-27 with Science categories.
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.
Theory Of Unimolecular Reactions
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Author : Noel Bryan Slater
language : en
Publisher:
Release Date : 1959
Theory Of Unimolecular Reactions written by Noel Bryan Slater and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1959 with Science categories.
Unimolecular Reactions
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Author : Wendell Forst
language : en
Publisher: Cambridge University Press
Release Date : 2003-09-25
Unimolecular Reactions written by Wendell Forst and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-09-25 with Science categories.
This textbook covers the basics necessary for understanding the statistical theory of unimolecular reactions in its original and variational, phase-space and angular momentum-conserved incarnations. Because the emphasis is on "why" rather than "how to", there are many problems and answers to explore further. The book is targeted at graduate and advanced undergraduate students studying chemical dynamics, chemical kinetics and theoretical chemistry.