Theory of Unimolecular and Recombination Reactions

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Publisher : Wiley-Blackwell
ISBN 13 : 9780632027491
Total Pages : 356 pages
Book Rating : 4.0/5 (274 download)

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Book Synopsis Theory of Unimolecular and Recombination Reactions by : Robert G. Gilbert

Download or read book Theory of Unimolecular and Recombination Reactions written by Robert G. Gilbert and published by Wiley-Blackwell. This book was released on 1990-01-01 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Theory of Chemical Reaction Dynamics

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 1402021658
Total Pages : 498 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Theory of Chemical Reaction Dynamics by : Antonio Laganà

Download or read book Theory of Chemical Reaction Dynamics written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2006-03-28 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003

Unimolecular Reactions

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Publisher : Cambridge University Press
ISBN 13 : 9780521529228
Total Pages : 342 pages
Book Rating : 4.5/5 (292 download)

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Book Synopsis Unimolecular Reactions by : Wendell Forst

Download or read book Unimolecular Reactions written by Wendell Forst and published by Cambridge University Press. This book was released on 2003-09-25 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Unimolecular Reaction Dynamics

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Publisher : Oxford University Press
ISBN 13 : 0195074947
Total Pages : 447 pages
Book Rating : 4.1/5 (95 download)

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Book Synopsis Unimolecular Reaction Dynamics by : Tomas Baer

Download or read book Unimolecular Reaction Dynamics written by Tomas Baer and published by Oxford University Press. This book was released on 1996-06-27 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Theories of Molecular Reaction Dynamics

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Publisher : Oxford University Press, USA
ISBN 13 : 0199203865
Total Pages : 391 pages
Book Rating : 4.1/5 (992 download)

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Book Synopsis Theories of Molecular Reaction Dynamics by : Niels E. Henriksen

Download or read book Theories of Molecular Reaction Dynamics written by Niels E. Henriksen and published by Oxford University Press, USA. This book was released on 2008 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Theories of Molecular Reaction Dynamics

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Publisher :
ISBN 13 : 0198805012
Total Pages : 458 pages
Book Rating : 4.1/5 (988 download)

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Book Synopsis Theories of Molecular Reaction Dynamics by : Niels Engholm Henriksen

Download or read book Theories of Molecular Reaction Dynamics written by Niels Engholm Henriksen and published by . This book was released on 2019 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes how chemical reactions take place at the atomic level and how one can calculate the rate of such reactions. The book features a systematic and comprehensive presentation of the subject with a wide range of examples and end-of-chapter problems.

Unimolecular Reactions

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Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 448 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Unimolecular Reactions by : Kenneth A. Holbrook

Download or read book Unimolecular Reactions written by Kenneth A. Holbrook and published by John Wiley & Sons. This book was released on 1996-07-10 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Theory of Unimolecular Reactions

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Publisher : Elsevier
ISBN 13 : 0323149359
Total Pages : 464 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Theory of Unimolecular Reactions by : Wendell Forst

Download or read book Theory of Unimolecular Reactions written by Wendell Forst and published by Elsevier. This book was released on 2012-12-02 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Reaction Dynamics

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Publisher : Cambridge University Press
ISBN 13 : 9781139442879
Total Pages : 574 pages
Book Rating : 4.4/5 (428 download)

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Book Synopsis Molecular Reaction Dynamics by : Raphael D. Levine

Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Unimolecular Kinetics

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Publisher : Elsevier
ISBN 13 : 012816218X
Total Pages : 540 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Unimolecular Kinetics by :

Download or read book Unimolecular Kinetics written by and published by Elsevier. This book was released on 2019-05-30 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unimolecular Kinetics: Part 2: Collisional Energy Transfer and the Master Equation, Volume 43 in Elsevier’s Comprehensive Molecular Kinetics series, addresses collision energy transfer and the effects it has on gas phase reactions, particularly at low gas density. Such systems include combustion, industrial gas phase processes and atmospheric/environmental processes. The book also discusses The Master Equation to give a good overview of the mechanics underpinning unimolecular kinetics. This new volume will be of interest to researchers investigating gas phase processes which involve unimolecular reactions and the related intermolecular reactions. Discusses collision energy transfer and the effects it has on gas phase reactions Introduces stochastic techniques to energy transfer methods, allowing for an extension of the unimolecular theory beyond simple molecular dissociation Draws an important connection between detailed reaction dynamic studies and the rate of coefficient determination

Tutorials in Molecular Reaction Dynamics

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Publisher : Royal Society of Chemistry
ISBN 13 : 178262614X
Total Pages : 507 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Tutorials in Molecular Reaction Dynamics by : Mark Brouard

Download or read book Tutorials in Molecular Reaction Dynamics written by Mark Brouard and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Theoretical Modelling and Mechanistic Study of the Formation and Atmospheric Transformations of Polycyclic Aromatic Compounds and Carbonaceous Particles

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Publisher : Universal-Publishers
ISBN 13 : 1599423340
Total Pages : pages
Book Rating : 4.5/5 (994 download)

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Book Synopsis Theoretical Modelling and Mechanistic Study of the Formation and Atmospheric Transformations of Polycyclic Aromatic Compounds and Carbonaceous Particles by : Antonius Indarto

Download or read book Theoretical Modelling and Mechanistic Study of the Formation and Atmospheric Transformations of Polycyclic Aromatic Compounds and Carbonaceous Particles written by Antonius Indarto and published by Universal-Publishers. This book was released on 2010-06-11 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Polycyclic Aromatic Hydrocarbons (PAHs) and soot share the same origin (incomplete combustion or pyrolysis) and nature, namely structural and electronic features. The purpose of the research work discussed in this thesis is to offer a theoretical contribution to elucidate some aspects of PAH and soot particle formation. The interest in carrying out such a work lies on one hand in the ubiquitous presence of both species in the environment, on the other hand on the concern for their impact on both human health, specifically involving the respiratory system, and climate, in particular as regards global warming. Thus, a better knowledge on the formation mechanisms of PAHs and soot could then help the efforts to reduce their concentration in our atmosphere. Since the formation mechanisms still presents unclear aspects, the suggestions and indications which can be offered by a theoretical study come out to be complementary to the large amount of experimental data collected so far. In setting up models aimed to mimic what happens in real pyrolysis or combustion situations, we have exploited the fact that PAHs and soot share as a common trait the presence of condensed unsaturated cycles (whose aromatic character can be variable). Thus, though types of soot of different origin will exhibit, on a larger scale, a variety of structural traits, we have chosen an assortment of PAH-like models to study different processes, together with other smaller unsaturated closed and open shell species that are known to play a role in the synthesis course. A preliminary phase of the study was aimed to assess which computational level could be both dependable and affordable to investigate the growth of a PAH-like radical when it is adsorbed onto soot platelets (particle phase). Then the Bittner-Howard variant of the widely accepted Hydrogen Abstraction Acetylene Addition (HACA) growth mechanism has been explored by Density Functional Theory (DFT) at the level mentioned above, both in the gas and particle phases, and over a wide range of temperatures. A parallel mechanism, differing from HACA, based on polyynes and characterized by the proliferation of radical centers, has also been studied for a variety of models at a multiconfigurational theory level. To the end, we have explored several reaction pathways starting from the addition of the propargyl radical to butadiyne.

Methods in Reaction Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 3642565115
Total Pages : 206 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Methods in Reaction Dynamics by : W. Jakubetz

Download or read book Methods in Reaction Dynamics written by W. Jakubetz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.

Encyclopedia of Spectroscopy and Spectrometry

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Publisher : Academic Press
ISBN 13 : 0080922171
Total Pages : 7207 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Encyclopedia of Spectroscopy and Spectrometry by :

Download or read book Encyclopedia of Spectroscopy and Spectrometry written by and published by Academic Press. This book was released on 2010-04-09 with total page 7207 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Second Edition of the Encyclopedia of Spectroscopy and Spectrometry pulls key information into a single source for quick access to answers and/or in-depth examination of topics. "SPEC-2" covers theory, methods, and applications for researchers, students, and professionals—combining proven techniques and new insights for comprehensive coverage of the field. The content is available in print and online via ScienceDirect, the latter of which offers optimal flexibility, accessibility, and usability through anytime, anywhere access for multiple users and superior search functionality. No other work gives analytical and physical (bio)chemists such unprecedented access to the literature. With 30% new content, SPEC-2 maintains the "authoritative, balanced coverage" of the original work while also breaking new ground in spectroscopic research. Incorporates more than 150 color figures, 5,000 references, and 300 articles (30% of which are new), for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Features a new co-editor: David Koppenaal of Pacific Northwest National Laboratory, Washington, USA, whose work in atomic mass spectrometry has been recognized internationally

Energetic Materials

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Publisher : Academic Press
ISBN 13 : 0128004509
Total Pages : 357 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Energetic Materials by : John R. Sabin

Download or read book Energetic Materials written by John R. Sabin and published by Academic Press. This book was released on 2014-02-10 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field

Gaseous Molecular Ions

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Publisher : Springer Science & Business Media
ISBN 13 : 3662073838
Total Pages : 357 pages
Book Rating : 4.6/5 (62 download)

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Book Synopsis Gaseous Molecular Ions by : Eugen Illenberger

Download or read book Gaseous Molecular Ions written by Eugen Illenberger and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most of the matter in our solar system, and, probably, within the whole universe, exists in the form of ionized particles. On the other hand, in our natural environ ment, gaseous matter generally consists of neutral atoms and molecules. Only under certain conditions, such as within the path oflightning or in several technical devices (e. g. gas discharges, rocket engines, etc. ) will some of the atoms and molecules be ionized. It is also believed that the chemistry of the earth's troposphere predomi nantly proceeds via reactions between neutral particles. (The complex system of atmospheric chemistry will be treated in one of the forthcoming volumes to this series. ) Why, then, are ions considered so important that hundreds oflaboratories all over the world (including some of the most prestigious) are involved in research pro grams on ions, covering many different facets, from biochemistry to physics? One may obtain as many different answers as there are research groups busy in this field. There is, however, one simple, common feature which makes it attractive to work with ions: since they carry one or more net elementary charges, they can easily be gui ded, focused or separated by appropriate electric and magnetic fields, and, last but not least, they can easily be detected. Apart from these advantages, which are welcome and appreciated by the researcher, the study of molecular ions can provide insight into very fundamental aspects of the general behavior of molecules.

Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping

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Publisher : World Scientific
ISBN 13 : 9789810217495
Total Pages : 1154 pages
Book Rating : 4.2/5 (174 download)

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Book Synopsis Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping by : Hai-Lung Dai

Download or read book Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping written by Hai-Lung Dai and published by World Scientific. This book was released on 1995 with total page 1154 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first stimulated emission pumping (SEP) experiments more than a decade ago, this technique has proven powerful for studying vibrationally excited molecules. SEP is now widely used by increasing numbers of research groups to investigate fundamental problems in spectroscopy, intramolecular dynamics, intermolecular interactions, and even reactions. SEP provides rotationally pre-selected spectra of vibrationally highly excited molecules undergoing large amplitude motions. A unique feature of SEP is the ability to access systematically a wide variety of extreme excitations localized in various parts of a molecule, and to prepare populations in specific, high vibrational levels. SEP has made it possible to ask and answer specific questions about intramolecular vibrational redistribution and the role of vibrational excitation in chemical reactions.