The Transition State
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Transition State
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Author : Takayuki Fueno
language : en
Publisher: CRC Press
Release Date : 1999-07-22
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 1999-07-22 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.
Transition States Of Biochemical Processes
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Author : R. Gandour
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Transition States Of Biochemical Processes written by R. Gandour and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
The transItIOn-state theory has been, from the point of its inception, the most influential principle in the development of our knowledge of reaction mechanisms in solution. It is natural that as the field of biochemical dynamics has achieved new levels of refinement its students have increasingly adopted the concepts and methods of transition-state theory. Indeed, every dynamical problem of biochemistry finds its most elegant and economical statement in the terms of this theory. Enzyme catalytic power, for example, derives from the interaction of enzyme and substrate structures in the transition state, so that an understanding of this power must grow from a knowledge of these structures and interactions. Similarly, transition-state interactions, and the way in which they change as protein structure is altered, constitute the pivotal feature upon which molecular evolution must turn. The complete, coupled dynamical system of the organism, incorporating the transport of matter and energy as well as local chemical processes, will eventually have to yield to a description of its component transition-state structures and their energetic response characteristics, even if the form of the description goes beyond present-day transition-state theory. Finally, the importance of biochemical effectors in medicine and agriculture carries the subject into the world of practical affairs, in the use of transition-state information for the construction of ultra potent biological agents.
The Transition State
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Author :
language : en
Publisher:
Release Date : 1962
The Transition State written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1962 with categories.
Reaction Rate Theory And Rare Events
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Author : Baron Peters
language : en
Publisher: Elsevier
Release Date : 2017-03-22
Reaction Rate Theory And Rare Events written by Baron Peters and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-22 with Technology & Engineering categories.
Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events Uses graphics and explicit examples to explain concepts Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
Computer Simulations In Condensed Matter From Materials To Chemical Biology Volume 1
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Author : Mauro Ferrario
language : en
Publisher: Springer
Release Date : 2007-03-09
Computer Simulations In Condensed Matter From Materials To Chemical Biology Volume 1 written by Mauro Ferrario and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-03-09 with Science categories.
This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.
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.
The Transition State
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Author : Chemical Society (Great Britain)
language : en
Publisher:
Release Date : 1962
The Transition State written by Chemical Society (Great Britain) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1962 with Chemical kinetics categories.
The Formulation Of Transition State Theory For A Reaction Proceeding By Simultaneous Mechanisms With A Common Transition State
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Author : Patrick George Wright
language : en
Publisher:
Release Date : 1970
The Formulation Of Transition State Theory For A Reaction Proceeding By Simultaneous Mechanisms With A Common Transition State written by Patrick George Wright and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with categories.
Six Membered Transition States In Organic Synthesis
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Author : Jaemoon Yang
language : en
Publisher: John Wiley & Sons
Release Date : 2008-02-08
Six Membered Transition States In Organic Synthesis written by Jaemoon Yang 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 2008-02-08 with Science categories.
This book furthers readers’ understanding of the amazing features of six-membered transition states in stereoselective organic reactions. Comprehensive and logically organized, it covers reactions classified in four categories: [3,3]-sigmatropic rearrangements, aldol reactions, metal allylation reactions, and stereoselective reductions. There is a thorough discussion of each reaction category, along with computational studies that support a proposal of a six-membered state. The book assists professors, researchers, and students in proposing reasonable transition states for the description of newly discovered stereoselective reactions.
Part I Physical Chemistry Part Ii Solid State Physics
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Author : Arthur S. Wightman
language : en
Publisher: Springer
Release Date : 2013-12-11
Part I Physical Chemistry Part Ii Solid State Physics written by Arthur S. Wightman and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-12-11 with Science categories.
The fourth volume of the Collected Works is devoted to Wigners contribution to physical chemistry, statistical mechanics and solid-state physics. One corner stone was his introduction of what is now called the Wigner function, while his paper on adiabatic perturbations foreshadowed later work on Berry phases. Although few in number, Wigners articles on solid-state physics laid the foundations for the modern theory of the electronic structure of metals.