Catalytic oxidation performance of the α-Keggin-type vanadium-substituted heteropolymolybdates: A density functional theory study on [PVnMo12-nO40](3+n)- ( n = 0 - 3)

Journal of Catalysis

Volumn 240, Issue 1, 2006, Pages 23-30

  Wang, Jinyue ^a,b   Hu, Changwei ^a   Jian, Min ^a   Zhang, Jin ^a   Li, Guiying ^a  

^a SICHUAN UNIVERSITY   (China)

^b YIBIN UNIVERSITY   (China)

Author keywords

Benzene hydroxylation; O3LYP; Oxidation catalyst; Redox properties; Turnover number; Vanadium(V) substituted heteropolymolybdates

Indexed keywords

CATALYSIS; CORRELATION THEORY; NEGATIVE IONS; OXIDATION; PROBABILITY DENSITY FUNCTION; REDOX REACTIONS; SUBSTITUTION REACTIONS; VANADIUM;

BENZENE HYDROXYLATION; O3LYP; OXIDATION CATALYSTS; TURNOVER NUMBERS;

MOLYBDATE MINERALS;

EID: 33646367664     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2006.03.005     Document Type: Article

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