Theoretical discussion on the mechanism of binding CO 2 by DBU and alcohol

Molecular Simulation

Volumn 39, Issue 10, 2013, Pages 822-827

  Wang, Yiqiu ^a,b   Han, Qingzhen ^a   Wen, Hao ^a  

^a INSTITUTE OF PROCESS ENGINEERING   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

CO2 absorption; quantum chemistry; reaction mechanism; trimolecular reaction

Indexed keywords

BIMOLECULAR REACTION; NUCLEOPHILIC ATTACK; QUANTUM CHEMICAL STUDIES; REACTION MECHANISM; SINGLE-POINT ENERGY; THERMO DYNAMIC ANALYSIS; THERMODYNAMIC AND KINETIC ANALYSIS; TRIMOLECULAR REACTION;

BINDING ENERGY; PROPANOL; QUANTUM CHEMISTRY; THERMOANALYSIS;

CARBON DIOXIDE;

EID: 84882376217     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2013.773430     Document Type: Article

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