Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs. 272 pp. Englisch. N� de r�f. du vendeur 9781402004247

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Quantum-Mechanical Prediction of Thermochemical Data

Jerzy Cioslowski

Edit� par Springer Netherlands, 2002

ISBN 10 : 1402004249 ISBN 13 : 9781402004247

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Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs. N� de r�f. du vendeur 9781402004247

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Quantum-Mechanical Prediction of Thermochemical Data

Cioslowski, Jerzy

Edit� par Springer Netherlands, 2002

ISBN 10 : 1402004249 ISBN 13 : 9781402004247

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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid onl. N� de r�f. du vendeur 458472256

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Quantum-Mechanical Prediction of Thermochemical Data

Cioslowski, Jerzy

Edit� par Springer 2002-01, 2002

ISBN 10 : 1402004249 ISBN 13 : 9781402004247

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PF. Etat : New. N� de r�f. du vendeur 6666-IUK-9781402004247

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Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, 22)

Edit� par Springer, 2002

ISBN 10 : 1402004249 ISBN 13 : 9781402004247

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Vendeur : Ria Christie Collections, Uxbridge, Royaume-Uni

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Etat : New. In. N� de r�f. du vendeur ria9781402004247_new

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Quantum-Mechanical Prediction of Thermochemical Data

Jerzy Cioslowski

Edit� par Springer-Verlag New York Inc., 2002

ISBN 10 : 1402004249 ISBN 13 : 9781402004247

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Paperback / softback. Etat : New. This item is printed on demand. New copy - Usually dispatched within 5-9 working days 416. N� de r�f. du vendeur C9781402004247

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