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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules: 277 (Nato Science Series C:) - Tapa blanda
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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.
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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.
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules (Nato Science Series C:)
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Springer Netherlands, 2011
ISBN 10: 9401069158
ISBN 13: 9789401069151
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Librería: moluna, Greven, Alemania
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Condición: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Proceedings of the NATO Advanced Research Workshop, Colombella di Perugia, Italy, August 30-September 3, 1988 The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers t. Nº de ref. del artículo: 5833527
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Springer Netherlands, 2011
ISBN 10: 9401069158
ISBN 13: 9789401069151
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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. Nº de ref. del artículo: 9789401069151
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules (Nato Science Series C:)
Librería: California Books, Miami, FL, Estados Unidos de America
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules: Volume 277 (Nato Science Series C:)
Librería: Chiron Media, Wallingford, Reino Unido
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Paperback. Condición: New. Nº de ref. del artículo: 6666-IUK-9789401069151
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Springer Netherlands, Springer Netherlands Okt 2011, 2011
ISBN 10: 9401069158
ISBN 13: 9789401069151
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Taschenbuch. Condición: Neu. This item is printed on demand - Print on Demand Titel. Neuware -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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 456 pp. Englisch. Nº de ref. del artículo: 9789401069151
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Condición: New. pp. 458. Nº de ref. del artículo: 26142322448
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Condición: New. Print on Demand pp. 458 67:B&W 6.69 x 9.61 in or 244 x 170 mm (Pinched Crown) Perfect Bound on White w/Gloss Lam. Nº de ref. del artículo: 135009487
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Paperback. Condición: Brand New. 456 pages. 9.61x6.69x1.03 inches. In Stock. Nº de ref. del artículo: x-9401069158
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Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
Impresión bajo demandaLibrería: Biblios, Frankfurt am main, HESSE, Alemania
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Condición: New. PRINT ON DEMAND pp. 458. Nº de ref. del artículo: 18142322458
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