Potential Energy Surfaces and Dynamics Calculations: For Chemical Reactions and Molecular Energy Transfer - Couverture souple
Synopsis
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.
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Potential Energy Surfaces and Dynamics (eng)
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Potential Energy Surfaces and Dynamics Calculations
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Potential Energy Surfaces and Dynamics Calculations
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Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - 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. 896 pp. Englisch. N° de réf. du vendeur 9781475717372
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Potential Energy Surfaces and Dynamics Calculations
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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. 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. N° de réf. du vendeur 4207114
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Potential Energy Surfaces and Dynamics Calculations | for Chemical Reactions and Molecular Energy Transfer
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Taschenbuch. Etat : Neu. Potential Energy Surfaces and Dynamics Calculations | for Chemical Reactions and Molecular Energy Transfer | Donald Truhlar | Taschenbuch | 2 Taschenbücher | Englisch | 2013 | Springer US | EAN 9781475717372 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. N° de réf. du vendeur 105516918
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Potential Energy Surfaces and Dynamics Calculations
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Springer US, Springer New York Jun 2013, 2013
ISBN 10 : 1475717377
ISBN 13 : 9781475717372
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Taschenbuch. Etat : Neu. 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. N° de réf. du vendeur 9781475717372
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Potential Energy Surfaces and Dynamics Calculations : for Chemical Reactions and Molecular Energy Transfer
Edité par
Springer US, Springer New York, 2013
ISBN 10 : 1475717377
ISBN 13 : 9781475717372
Neuf
Taschenbuch
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Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. N° de réf. du vendeur 9781475717372
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Potential Energy Surfaces and Dynamics Calculations: for Chemical Reactions and Molecular Energy Transfer
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Springer, 2013
ISBN 10 : 1475717377
ISBN 13 : 9781475717372
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