Ab Initio MO Study of the Full Catalytic Cycle of Olefin Hydrogenation by the Wilkinson Catalyst RhCl(PR3)3

Journal of the American Chemical Society

Volumn 110, Issue 12, 1988, Pages 3773-3787

  Daniel, C ^a   Koga, N ^b   Morokuma, K ^b   Han, J ^c   Fu, X Y ^c  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS - MATERIALS; RHODIUM COMPOUNDS;

ACTIVATION ENERGY; CARBONYL INSERTION; CYCLOHEXENE; MOLLER-PLESSET PERTURBATION THEORY; PHOSPHINE;

OLEFINS;

EID: 0024281561     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00220a010     Document Type: Article

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