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Reactive Scattering For H H2 And H H2 And Its Isotopologues
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Book Synopsis Reactive scattering for H- + H2 and H+ + H2 and its isotopologues by : Dequan Wang
Download or read book Reactive scattering for H- + H2 and H+ + H2 and its isotopologues written by Dequan Wang and published by Logos Verlag Berlin GmbH. This book was released on 2016-07-15 with total page 139 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reactive scattering for H- + H2 and H+ + H2 and its isotopologues were investigated using different methods. The studies aimed at providing insights into elementary reactions, and go beyond these to more complexchemical reactions. By comparison of the reaction probabilities of H+ + H2 using adiabatic and non-adiabatic methods, it was found that, at low collision energies, the reaction preferentially occurs adiabatically, but at higher collision energies non-adiabatic effects should be taken into account. For H- + H2 and its isotopologues, we can see that, at low collision energies, the reaction probabilities and reaction cross section using SM-PES and AY-PES are very similar but different from PS-PES. The reaction cross sections investigated with quasi-classical trajectoriesare higher than those calculated with quantum wavepackets. For the collision H- and D- with HD, the main reaction path ways are different with the different collision energies.
Book Synopsis The Theory of Chemical Reaction Dynamics by : D.C. Clary
Download or read book The Theory of Chemical Reaction Dynamics written by D.C. Clary and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976-06 with total page 1216 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis ERDA Energy Research Abstracts by : United States. Energy Research and Development Administration
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976 with total page 1320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules by : Antonio Laganà
Download or read book Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of a few elementary processes. However, the accurate characterization of a reactive process, even for small systems, is so demanding in terms of computer resources to make the use of supercomputers having vector and parallel features unavoidable. Sometimes to take full advantage from these features all is needed is a restructure of those parts of the computer code which perform vector and matrix manipulations and a parallel execution of its independent tasks. More often, a deeper restructure has to be carried out. This may involve the problem of choosing a suitable computational strategy or the more radical alternative of changing the theoretical treatment. There are cases, in fact, where theoretical approaches found to be inefficient on a scalar computer exhibit their full computational strength on a supercomputer.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1986 with total page 1366 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :United States. Energy Research and Development Administration. Technical Information Center Publisher : ISBN 13 : Total Pages :1680 pages Book Rating :4.3/5 (129 download)
Book Synopsis ERDA Energy Research Abstracts by : United States. Energy Research and Development Administration. Technical Information Center
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration. Technical Information Center and published by . This book was released on 1977 with total page 1680 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1990 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis ERDA Research Abstracts by : United States. Energy Research and Development Administration
Download or read book ERDA Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Chemical Dynamics and Kinetics of Small Radicals by : Ketian Liu
Download or read book The Chemical Dynamics and Kinetics of Small Radicals written by Ketian Liu and published by World Scientific. This book was released on 1996-01-19 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights recent progress in the chemistry of radicals. Developments include the growing use of lasers to generate radicals, the application of lasers to provide state, angular, polarization, energy and real-time resolution in kinetics and dynamics experiments, the development of theories for handling the reactions of radicals, and the simulation of the reaction dynamics of increasingly larger systems for direct comparison to experimental results. The book emphasizes the increasing interaction between experimental dynamics, kinetics and theory. It is appropriate for chemistry graduate students and researchers about to enter the field. However, the discussions of some topics progress to a more advanced level so that even an expert will find the book useful.
Book Synopsis The Chemical Dynamics and Kinetics of Small Radicals by : Kopin Liu
Download or read book The Chemical Dynamics and Kinetics of Small Radicals written by Kopin Liu and published by World Scientific. This book was released on 1996-01-19 with total page 1100 pages. Available in PDF, EPUB and Kindle. Book excerpt: '0Keywords:Kinetics;Chemical Dynamics;Molecular Beams;Radical Reactions;Photodissociation;Energy Transfer;Half-Collision Studies;Stereodynamics;Transition State Theory;Alignment Effects;Free Radical;Transition State;Potential Energy Surface;Hund''s Case;Doppler Effect;Orbital Alignment;Differential Cross Section;Vector Correlation;Collision ComplexCollision Complex'
Book Synopsis Theory of Molecular Collisions by : Gabriel G Balint-Kurti
Download or read book Theory of Molecular Collisions written by Gabriel G Balint-Kurti and published by Royal Society of Chemistry. This book was released on 2015-07-02 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Almost 100 years have passed since Trautz and Lewis put forward their collision theory of molecular processes. Today, knowledge of molecular collisions forms a key part of predicting and understanding chemical reactions. This book begins by setting out the classical and quantum theories of atom-atom collisions. Experimentally observable aspects of the scattering processes; their relationship to reaction rate constants and the experimental methods used to determine them are described. The quantum mechanical theory of reactive scattering is presented and related to experimental observables. The role of lasers in the measurement and analysis of reactive molecular collisions is also discussed. Written with postgraduates and newcomers to the field in mind, mathematics is kept to a minimum, and readers are guided to appendices and further reading to gain a deeper understanding of the mathematics involved.
Download or read book ERDA energy research abstracts written by and published by . This book was released on 1977 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1993 with total page 1420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bibliography of Mass Spectroscopy Literature for 1970 by :
Download or read book Bibliography of Mass Spectroscopy Literature for 1970 written by and published by . This book was released on 1972 with total page 900 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book INIS Atomindeks written by and published by . This book was released on 1986 with total page 1758 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Dynamics of the Reaction of the N+ Ion with Hydrogen Isotopes and Helium by : Walter Ernst William Ruska
Download or read book Dynamics of the Reaction of the N+ Ion with Hydrogen Isotopes and Helium written by Walter Ernst William Ruska and published by . This book was released on 1976 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt:
