Download or read book Microcanonical Transition State Theory at Surfaces written by Heather Lynn Abbott and published by . This book was released on 2007 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Transition State written by Takayuki Fueno and published by CRC Press. This book was released on 2019-08-16 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Microcanonical Unimolecular Rate Theory at Surfaces written by Alex David Bukoski and published by . This book was released on 2005 with total page 626 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book IUTAM Symposium on Hamiltonian Dynamics Vortex Structures Turbulence written by Alexey V. Borisov and published by Springer Science & Business Media. This book was released on 2007-12-22 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work brings together previously unpublished notes contributed by participants of the IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures, Turbulence (Moscow, 25-30 August 2006).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.
Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Fundamental Chemical Kinetics written by M R Wright and published by Elsevier. This book was released on 1999-06-01 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Isotope Effects written by Max Wolfsberg and published by Springer Science & Business Media. This book was released on 2009-12-15 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Modern Methods for Multidimensional Dynamics Computations in Chemistry written by Donald Leo Thompson and published by World Scientific. This book was released on 1998 with total page 764 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Mass Spectrometry written by R. A. W. Johnstone and published by Royal Society of Chemistry. This book was released on 1984 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Enzymology and Enzyme Technology written by Bhatt S.M. and published by S. Chand Publishing. This book was released on 2022-01-03 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book New Trends in Kramers Reaction Rate Theory written by P. Talkner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: The escape from metastable states via noise-assisted hopping and/or tunneling is pivotal to many scientific disciplines. It impacts on such diverse physical, chemical and biological processes as diffusion in solids, chemical reactions, nucleation phenomena and transfer of matter and information in biological systems. This volume surveys recent developments in the rate theory of both equilibrium and nonequilibrium processes. The understanding of the classical and quantum-mechanical concepts of this theory is deepened and extended in order to cope with various problems which, in particular, arise in complex systems. A wide range of applications are discussed such as correlated hops in periodic potentials, fluctuating barriers, transitions to limit cycles, discrete time dynamics, random walks on selfsimilar structures, and nonexponential decay in disordered systems is covered and profoundly discussed. For research workers and graduate students in chemistry, physics and biology with an interest in reaction rate theory.
Download or read book Fundamental World of Quantum Chemistry written by Erkki J. Brändas and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science. The volumes will be accessible to all levels, from students, PhD students, and postdocs to their supervisors.
Download or read book Molecular Relaxation in Liquids written by Biman Bagchi and published by OUP USA. This book was released on 2012-04-17 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book captures recent and exciting developments in molecular relaxation in liquids.
Download or read book Isotope Effects In Chemistry and Biology written by Amnon Kohen and published by CRC Press. This book was released on 2005-11-01 with total page 1092 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Download or read book Quantum Tunnelling in Enzyme catalysed Reactions written by Rudolf K. Allemann and published by Royal Society of Chemistry. This book was released on 2009 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers.
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by Wiley-VCH Verlag GmbH. This book was released on 1995 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume in computational chemistry includes aspects of: theoretical chemistry, physical chemistry, computer graphics in chemistry, molecular structure, and pharmaceutical chemistry.
Download or read book Dynamics of Mercury Pollution on Regional and Global Scales written by Nicola Pirrone and published by Springer Science & Business Media. This book was released on 2005-07-22 with total page 760 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of the different dynamic patterns involved in the redistribution of mercury in the global environment, and its impact on human health and ecosystems. Increasing mercury usage and the lack of emission control policy, especially in fast developing countries, represent a complex environmental and political issue that can only benefit from more accurate measurement.
