Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: A refined force field

Journal of Physical Chemistry B

Volumn 118, Issue 12, 2014, Pages 3409-3422

  Mondal, Anirban ^a   Balasubramanian, Sundaram ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; DIFFUSION; GASES; IONS; MOLECULAR DYNAMICS; PHYSICAL PROPERTIES; QUANTUM CHEMISTRY;

ELECTRONIC CHARGE DENSITY; ENTHALPY OF VAPORIZATION; ION DIFFUSION COEFFICIENT; MOLECULAR DYNAMICS SIMULATIONS; QUANTITATIVE AGREEMENT; QUANTITATIVE PREDICTION; QUANTUM CHEMICAL CALCULATIONS; ROOM TEMPERATURE IONIC LIQUIDS;

IONIC LIQUIDS;

EID: 84897138159     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp500296x     Document Type: Article

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