Potential Energy Surfaces and Dynamics Calculations

Potential Energy Surfaces and Dynamics Calculations
Title Potential Energy Surfaces and Dynamics Calculations PDF eBook
Author Donald Truhlar
Publisher Springer Science & Business Media
Pages 859
Release 2013-11-11
Genre Science
ISBN 1475717350

Download Potential Energy Surfaces and Dynamics Calculations Book in PDF, Epub and Kindle

The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.

Journal of Research of the National Bureau of Standards

Journal of Research of the National Bureau of Standards
Title Journal of Research of the National Bureau of Standards PDF eBook
Author United States. National Bureau of Standards
Publisher
Pages 576
Release 1988
Genre Chemistry
ISBN

Download Journal of Research of the National Bureau of Standards Book in PDF, Epub and Kindle

Energy Research Abstracts

Energy Research Abstracts
Title Energy Research Abstracts PDF eBook
Author
Publisher
Pages 622
Release 1993
Genre Power resources
ISBN

Download Energy Research Abstracts Book in PDF, Epub and Kindle

ERDA Energy Research Abstracts

ERDA Energy Research Abstracts
Title ERDA Energy Research Abstracts PDF eBook
Author
Publisher
Pages 1144
Release 1983
Genre Power resources
ISBN

Download ERDA Energy Research Abstracts Book in PDF, Epub and Kindle

NBS Special Publication

NBS Special Publication
Title NBS Special Publication PDF eBook
Author
Publisher
Pages 476
Release 1968
Genre Weights and measures
ISBN

Download NBS Special Publication Book in PDF, Epub and Kindle

Statistical Physics: Proceedings Of The 2th Tohwa Univ International Meeting

Statistical Physics: Proceedings Of The 2th Tohwa Univ International Meeting
Title Statistical Physics: Proceedings Of The 2th Tohwa Univ International Meeting PDF eBook
Author Michio Tokuyama
Publisher World Scientific
Pages 266
Release 1998-04-04
Genre
ISBN 9814545198

Download Statistical Physics: Proceedings Of The 2th Tohwa Univ International Meeting Book in PDF, Epub and Kindle

Statistical physics is one of the fundamental branches of modern science. It provides a useful tool constructing a bridge from the microscopic to the macroscopic world. In the last forty years, most of the extensive applications have been made successfully in a variety of fields, such as physics, chemistry, biology, materials science, and even astronomy, where many new concepts and methods have been developed.The purpose of this meeting is to provide an opportunity for young researchers in experimental, theoretical and computational fields to communicate with one another using the common language of statistical physics, and thus foster many-body interactions among themselves.

Physical Review

Physical Review
Title Physical Review PDF eBook
Author
Publisher
Pages 1770
Release 2000-06
Genre Fluids
ISBN

Download Physical Review Book in PDF, Epub and Kindle

Publishes papers that report results of research in statistical physics, plasmas, fluids, and related interdisciplinary topics. There are sections on (1) methods of statistical physics, (2) classical fluids, (3) liquid crystals, (4) diffusion-limited aggregation, and dendritic growth, (5) biological physics, (6) plasma physics, (7) physics of beams, (8) classical physics, including nonlinear media, and (9) computational physics.