Potential Energy Surfaces and Dynamics Calculations
Language: English
Published by Springer US, Springer New York Jun 2013, 2013
- Softcover
- New
Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germanybuchversandmimpf2000
AbeBooks seller since January 23, 2017
Condition: New
£ 92.26
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Add to basketItem description from seller
This item is printed on demand - Print on Demand Titel. Neuware -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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 896 pp. Englisch.…
Seller Inventory # 9781475717372
- Title
- Potential Energy Surfaces and Dynamics Calculations
- Author
- Donald Truhlar
- Publisher
- Springer US, Springer New York Jun 2013
- Publication year
- 2013
- Condition
- Neu
- Binding
- Taschenbuch
- Language
- English
- ISBN 10
- 1475717377
- ISBN 13
- 9781475717372
- Item weight
- 1,673 grams
- Dimensions
- 254x178x49 mm
"Synopsis" may belong to another edition of this title.
buchversandmimpf2000
Emtmannsberg, BAYE, Germany
AbeBooks seller since January 23, 2017
Shipping rates from Germany to U.S.A.
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