Nucleophilicity and accessibility calculations of alkanolamines: Applications to carbon dioxide absorption reactions

Journal of Physical Chemistry A

Volumn 114, Issue 49, 2010, Pages 12907-12913

  Jhon, Young H ^a   Shim, Jae Goo ^b   Kim, Jun Han ^b   Lee, Ji Hyun ^b   Jang, Kyung Ryong ^b   Kim, Jaheon ^a  

^a Soongsil University   (South Korea)

^b Korea Electric Power Research Institute (KEPRI)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; CARBON DIOXIDE; ETHANOL; FORECASTING; QUANTUM THEORY; RATE CONSTANTS;

2-AMINO-2-METHYL-1-PROPANOL; ALKANOLAMINES; CARBON DIOXIDE ABSORPTION; MD SIMULATION; MONOETHANOLAMINE; NUCLEOPHILICITIES; OPTIMIZATION CALCULATION; QUANTITATIVE CORRECTIONS; QUANTUM-MECHANICAL CALCULATION; REACTION CENTER; STERIC EFFECT;

AMINATION;

EID: 84961978642     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp105914c     Document Type: Article

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