A computational study on choline benzoate and choline salicylate ionic liquids in the pure state and after CO2 adsorption

Journal of Physical Chemistry B

Volumn 116, Issue 30, 2012, Pages 9171-9185

  Aparicio, Santiago ^a   Atilhan, Mert ^b  

^a UNIVERSITY OF BURGOS   (Spain)

^b QATAR UNIVERSITY   (Qatar)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; IONIC LIQUIDS; MOLECULAR DYNAMICS; MOLECULES; QUANTUM CHEMISTRY;

CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL STUDIES; DYNAMIC BEHAVIORS; FUNCTION OF PRESSURE; INTERMOLECULAR FORCES; IONIC PAIRS; NATURAL BOND ORBITAL; PURE STATE; QUANTUM CHEMISTRY CALCULATIONS;

CARBON DIOXIDE;

EID: 84864741054     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp304755k     Document Type: Article

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