The formation mechanism of Mo-methylidene species over Mo/HBeta catalysts for heterogeneous olefin metathesis: A density functional theory study

Journal of Molecular Catalysis A: Chemical

Volumn 300, Issue 1-2, 2009, Pages 41-47

  Guan, Jing ^a   Yang, Gang ^a   Zhou, Danhong ^a,b   Zhang, Weiping ^a   Liu, Xianchun ^a   Han, Xiuwen ^a   Bao, Xinhe ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b LIAONING NORMAL UNIVERSITY   (China)

Author keywords

Active sites; Density functional calculations; Mo HBeta catalysts; Olefin metathesis; Oxidation states

Indexed keywords

CATALYSIS; CATALYSTS; ELECTRONIC PROPERTIES; ETHYLENE; MOLYBDENUM; OLEFINS; OXIDATION; PROGRAMMING THEORY; SILICATE MINERALS; VEGETATION; ZEOLITES;

ACTIVE SITES; DENSITY FUNCTIONAL CALCULATIONS; MO/HBETA CATALYSTS; OLEFIN METATHESIS; OXIDATION STATES;

DENSITY FUNCTIONAL THEORY;

EID: 59549101776     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2008.10.044     Document Type: Article

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