What determines the catalyst's selectivity in the ethylene epoxidation reaction

Journal of Catalysis

Volumn 254, Issue 2, 2008, Pages 304-309

  Kokalj, Anton ^a,b   Gava, Paola ^b   de Gironcoli, Stefano ^b   Baroni, Stefano ^b  

^a JO EF STEFAN INSTITUTE   (Slovenia)

^b INFM   (Italy)

Author keywords

C H activation; Density functional calculations; Ethylene epoxidation; Heterogeneous catalysis; Reaction mechanisms

Indexed keywords

ACTIVATION ENERGY; ALDEHYDES; BOND STRENGTH (CHEMICAL); CATALYST SELECTIVITY; DENSITY FUNCTIONAL THEORY; EPOXIDATION; PHASE TRANSITIONS;

ACETALDEHYDE; ETHYLENE EPOXIDATION; OXAMETALLACYCLE; REACTION MECHANISMS;

ETHYLENE;

EID: 39749162152     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2008.01.008     Document Type: Article

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