Theoretical study of TBD-catalyzed carboxylation of propylene glycol with CO2

Journal of Molecular Catalysis A: Chemical

Volumn 315, Issue 1, 2010, Pages 76-81

  Ma, Jun ^a,b   Zhang, Xuelan ^a,b   Zhao, Ning ^a   Al Arifi, Abdullah S N ^c   Aouak, Taieb ^c   Al Othman, Zeid Abdullah ^c   Xiao, Fukui ^a   Wei, Wei ^a   Sun, Yuhan ^a  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

Catalytic mechanism; CO2; DFT; Propylene glycol; TBD

Indexed keywords

C ATOMS; CATALYTIC MECHANISMS; CATALYTIC ROLE; DENSITY FUNCTIONAL THEORY METHODS; ENERGY PROFILE; NUCLEOPHILIC ATTACK; OPTIMIZED STRUCTURES; PROPYLENE GLYCOLS; RATE DETERMINING STEP; REACTION PATHS; SYNERGISTIC ACTION; THEORETICAL STUDY;

ATOMS; CARBOXYLATION; DENSITY FUNCTIONAL THEORY; GLYCOLS; PROBABILITY DENSITY FUNCTION;

PROPYLENE;

EID: 71749083994     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2009.09.003     Document Type: Article

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