Migratory CO insertion and aldehyde formation in carbonylation of methane by the Rh(PH3)2Cl catalyst. A dynamical density functional study

Journal of the American Chemical Society

Volumn 118, Issue 23, 1996, Pages 5412-5419

  Margl, Peter ^a   Ziegler, Tom ^a   Blöchl, Peter E ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATION; ARTICLE; CATALYSIS; COMPLEX FORMATION; COMPUTER SIMULATION; MOLECULAR DYNAMICS; REACTION ANALYSIS;

EID: 0030007017     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja954168+     Document Type: Article

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