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Electronic structure and catalytic properties of Waugh-type anion (NiMo9O32)6- (1998)

Xiao, Shen-Xiu ; Yang, Sheng-Yong ; Chen, Tian-Lang

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 70 (1998), S. 375-378

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ISSN: 0020-7608

Keywords: electronic structure ; catalytic properties ; Wangh-type anion ; heteropoly compounds ; DV-Xα method ; Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The electronic structure of Waugh anion (NiMo9O32)6- has been calculated by the DV-Xα method. The electronic structure and catalytic behavior of the Waugh anion are discussed. At the same time, the difference in electronic structure and relationship in catalytic behavior between Waugh and Keggin anions are compared. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 375-378, 1998

Additional Material: 4 Ill.

Type of Medium: Electronic Resource

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