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Titlebook: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry; A. Veillard Book 1986 D. Reidel Publishing Company, Dord

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書目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry
編輯A. Veillard
視頻videohttp://file.papertrans.cn/782/781064/781064.mp4
叢書名稱Nato Science Series C:
圖書封面Titlebook: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry;  A. Veillard Book 1986 D. Reidel Publishing Company, Dord
描述Over the last twenty years, developments of the ab initio metho- dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des- cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex- acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one
出版日期Book 1986
關鍵詞bonding; catalysis; metals; photochemistry; quantum chemistry; spectroscopy; structure
版次1
doihttps://doi.org/10.1007/978-94-009-4656-9
isbn_softcover978-94-010-8569-4
isbn_ebook978-94-009-4656-9Series ISSN 1389-2185
issn_series 1389-2185
copyrightD. Reidel Publishing Company, Dordrecht, Holland 1986
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978-94-010-8569-4D. Reidel Publishing Company, Dordrecht, Holland 1986
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Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry978-94-009-4656-9Series ISSN 1389-2185
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,Applications of the LCGTO-Xα Method to Transition Metal Carbonyls,ths and for the force constants is satisfactory. The deviations are significantly smaller than those encountered in Hartree-Fock calculations. A systematic trend to overestimate the metal to carbon bond strength is observed and attributed to the local density approximation.
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Nato Science Series C:http://image.papertrans.cn/q/image/781064.jpg
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https://doi.org/10.1007/978-94-009-4656-9bonding; catalysis; metals; photochemistry; quantum chemistry; spectroscopy; structure
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Charles W. Bauschlicher Jr.,Stephen P. Walch,Stephen R. Langhoffer?nderter Form über den Absatzmarkt vertrieben. Die Gesch?ftsvorf?lle, die dabei anfallen, ver?ndern die wirtschaftliche Lage eines Unternehmens und entsprechend das Eigenkapital und damit die Differenz zwischen Verm?gen und Schulden (erfolgswirksame Gesch?ftsvorf?lle). Das Eigenkapital stellt nebe
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M. Pélissier,J. P. Daudey,J. P. Malrieu,G. H. Jeunger?nderter Form über den Absatzmarkt vertrieben. Die Gesch?ftsvorf?lle, die dabei anfallen, ver?ndern die wirtschaftliche Lage eines Unternehmens und entsprechend das Eigenkapital und damit die Differenz zwischen Verm?gen und Schulden (erfolgswirksame Gesch?ftsvorf?lle). Das Eigenkapital stellt nebe
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M. Tranquille wurden v. a. die Abschnitte Gesch?ftsvorf?lle im Personalbereich, Steuern in der Buchführung, Abschreibung auf Anlagegüter sowie Rückstellungen überarbeitet und aktualisiert. Zudem wurden die ?nderungen durch das Bilanzrichtlinie-Umsetzungsgesetz (BilRUG) von 2015 berücksichtigt..978-3-662-49811-8
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