Catalyzed chemoselective acrolein hydrogenation. Density functional studies

Organometallics

Volumn 23, Issue 9, 2004, Pages 2168-2178

  Huo, Chun Fang ^a   Li, Yong Wang ^a   Beller, Matthias ^b   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ELECTRONIC STRUCTURE; ENTHALPY; FREE ENERGY; HYDRIDES; ISOMERIZATION; OXIDATION; PROBABILITY DENSITY FUNCTION; STOICHIOMETRY; THERMODYNAMIC STABILITY;

CATALYZED CHEMOSELECTIVE; LOWER FREE ENERGY BARRIERS; POTENTIAL ENERGY SURFACE (PES); TRANSITION STATES (TS);

HYDROGENATION;

EID: 2442596036     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om034317u     Document Type: Article

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