Author: Takayuki Fueno
Publisher: CRC Press
ISBN: 100071747X
Category : Science
Languages : en
Pages : 328
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Book Description
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.
Author: Alex David Bukoski
Publisher:
ISBN:
Category :
Languages : en
Pages : 626
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Book Description
Author: Alexey V. Borisov
Publisher: Springer Science & Business Media
ISBN: 1402067445
Category : Science
Languages : en
Pages : 501
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Book Description
This work brings together previously unpublished notes contributed by participants of the IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures, Turbulence (Moscow, 25-30 August 2006). The study of vortex motion is of great interest to fluid and gas dynamics: since all real flows are vortical in nature, applications of the vortex theory are extremely diverse, many of them (e.g. aircraft dynamics, atmospheric and ocean phenomena) being especially important.
Author: Baron Peters
Publisher: Elsevier
ISBN: 0444594701
Category : Technology & Engineering
Languages : en
Pages : 636
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Book Description
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
Author: M R Wright
Publisher: Elsevier
ISBN: 1782420525
Category : Science
Languages : en
Pages : 321
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Book Description
The unusual approach of this text gives final honours and post-graduate students a clear and explanatory account of one of the "harder areas of physical chemistry. The author takes care to provide detailed verbal clarification of the concepts and their importance together with full explanations of the mathematical developments. Her explanations are an essential and vital feature of the text, which is scholarly, lucid and well-written with a combination of depth of coverage and clarity which helps students to work through on their own. - A clear and explanatory account of one of the more difficult areas of physical chemistry - Provides detailed verbal clarification of the concepts and their importance together with full explanations of the mathematical developments - Discusses energy transfer, molecular beam studies of reactive scattering and historical developments and modern kinetics, among other topics
Author: Max Wolfsberg
Publisher: Springer Science & Business Media
ISBN: 9048122651
Category : Science
Languages : en
Pages : 477
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Book Description
As the title suggests, Isotope Effects in the Chemical, Geological and Bio Sciences deals with differences in the properties of isotopically substituted molecules, such as differences in the chemical and physical properties of water and the heavy waters. Since the various fields in which isotope effects are applied do not only share fundamental principles but also experimental techniques, this book includes a discussion of experimental apparatus and experimental techniques. Isotope Effects in the Chemical, Geological and Bio Sciences is an educational monograph addressed to graduate students and others undertaking isotope effect research. The fundamental principles needed to understand isotope effects are presented in appropriate detail. While it is true that these principles are more familiar to students of physical chemistry and some background in physical chemistry is recommended, the text provides enough detail to make the book an asset to students in organic and biochemistry, and geochemistry.
Author: Donald Leo Thompson
Publisher: World Scientific
ISBN: 9789810233426
Category : Science
Languages : en
Pages : 764
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Book Description
This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other ?novices? who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.
Author: R. A. W. Johnstone
Publisher: Royal Society of Chemistry
ISBN: 0851863183
Category : Reference
Languages : en
Pages : 442
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Book Description
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author: Bhatt S.M.
Publisher: S. Chand Publishing
ISBN: 8121935849
Category : Science
Languages : en
Pages : 448
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Book Description
discussion of the correction between the structure and properties of elements/ compound. The book caters to the requirements of Bachelor in Science (Pass) courses. With detailed discussion on several advanced topics, the students of Bachelor in Science (Honours) and Masters in Science would also find it extremely
Author: Biman Bagchi
Publisher: OUP USA
ISBN: 0199863326
Category : Science
Languages : en
Pages : 331
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Book Description
The book captures recent and exciting developments in molecular relaxation in liquids.
