Download or read book Combining Transition State Theory with Quasiclassical Trajectory Calculations written by R. J. Frost and published by . This book was released on 1987 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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
Download or read book Journal of the Chemical Society written by and published by . This book was released on 1988 with total page 826 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quasiclassical Trajectory and Variational Transition State Theory Study of the Rates and Temperature Dependent Activation Energies of the Reactions Mu H2 Completely Thermal and H D and Mu H2 v written by Normand C. Blais and published by . This book was released on 1982 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Science and Its Applications ICCSA 2014 written by Beniamino Murgante and published by Springer. This book was released on 2014-07-03 with total page 869 pages. Available in PDF, EPUB and Kindle. Book excerpt: The six-volume set LNCS 8579-8584 constitutes the refereed proceedings of the 14th International Conference on Computational Science and Its Applications, ICCSA 2014, held in Guimarães, Portugal, in June/July 2014. The 347 revised papers presented in 30 workshops and a special track were carefully reviewed and selected from 1167 initial submissions. The 289 papers presented in the workshops cover various areas in computational science ranging from computational science technologies to specific areas of computational science such as computational geometry and security.
Download or read book Transition State written by Takayuki Fueno and published by CRC Press. This book was released on 1999-07-22 with total page 348 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 AFOSR Chemical Atmospheric Sciences Program Review written by United States. Air Force. Directorate of Chemical and Atmospheric Sciences and published by . This book was released on with total page 594 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 1989 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book THEORY CHEM REACT DYN written by Michael Baer and published by CRC Press. This book was released on 1985-11-19 with total page 270 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:
Download or read book Research Publications Report written by and published by . This book was released on 1988 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reactive Flows Diffusion and Transport written by Willi Jäger and published by Springer Science & Business Media. This book was released on 2007-05-31 with total page 659 pages. Available in PDF, EPUB and Kindle. Book excerpt: The articles in this volume summarize the research results obtained in the former SFB 359 "Reactive Flow, Diffusion and Transport" which has been supported by the DFG over the period 1993-2004. The main subjects are physical-chemical processes sharing the difficulty of interacting diffusion, transport and reaction which cannot be considered separately. The modeling and simulation within this book is accompanied by experiments.
Download or read book Faraday Discussions of the Chemical Society written by and published by . This book was released on 1998 with total page 934 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Atom Molecule Collision Theory written by Richard Barry Bernstein and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi mental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics. One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great im portance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results. This "coming together" of the subject (and, incidentally, of physicists and chemists !), though still in an early stage, signals that the time is ripe for an appraisal and review of the theoretical basis of atom-molecule collisions. It is especially important for the experimentalist in the field to have a working knowledge of the theory and computational methods required to describe the experimentally observable behavior of the system. By now many of the alternative theoretical approaches and computational procedures have been tested and intercompared. More-or-Iess optimal methods for dealing with each aspect are emerging. In many cases working equations, even schematic algorithms, have been developed, with assumptions and caveats delineated.
Download or read book Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards written by and published by . This book was released on 1990 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1983 with total page 1144 pages. Available in PDF, EPUB and Kindle. Book excerpt:
