Effect of water on structure and dynamics of [BMIM][PF6] ionic liquid: An all-atom molecular dynamics simulation investigation

Journal of Chemical Physics

Volumn 144, Issue 11, 2016, Pages

  Sharma, Anirban ^a   Ghorai, Pradip Kr ^a  

^a INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH KOLKATA   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION; DIFFUSION IN LIQUIDS; IONIC LIQUIDS; NEGATIVE IONS;

1-BUTYL-3-METHYL-IMIDAZOLIUM HEXAFLUOROPHOSPHATE; ASYMMETRIC BROADENING; DYNAMICAL HETEROGENEITIES; DYNAMICAL PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; SELF-DIFFUSION COEFFICIENTS; STRUCTURE AND DYNAMICS; VORONOI TESSELLATIONS;

MOLECULAR DYNAMICS;

EID: 84962304851     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4944083     Document Type: Article

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71. See supplementary material at http://dx.doi.org/10.1063/1.4944083 E-JCPSA6-144-038612 for descriptions of the detailed force field, CONTROL and FILED file for DL-POLY, etc.