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The electronic structure of Keggin anion (PW12O40)3- and catalytic properties (1992)

Chen, T. L. ; Ji, J. ; Xiao, S. X. ; [et al.]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 44 (1992), S. 1015-1025

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The electronic structure of the Keggin anion (PW12O40)3- has been calculated by the DV-Xα method. The nature of the chemical bonds of the Keggin anion and the relationship between electronic structure and catalytic behavior are discussed. At the same time, the difference in electronic structure and the relationship in catalytic behavior between (PW12O40)3- and (PMo12O40)3- are compared. © 1992 John Wiley & Sons, Inc.

Additional Material: 11 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560440606

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