Computational experiment on hydroformylation and hydrogenation of propenal catalyzed by Rh complex: A competitive study

Journal of Molecular Structure: THEOCHEM

Volumn 714, Issue 1, 2005, Pages 61-72

  Luo, Xiaoling ^a   Tang, Dianyong ^a   Li, Ming ^a  

^a SOUTHWEST UNIVERSITY   (China)

Author keywords

Acrylaldehyde; DFT Rh complex; Hydroformylation; Hydrogenation

Indexed keywords

ACROLEIN DERIVATIVE; RHENIUM COMPLEX;

ARTICLE; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROFORMYLATION; HYDROGENATION; ISOMERIZATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PREDICTION; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 12344269658     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.09.055     Document Type: Article

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