Computer simulation of diffusion coefficients of the room-temperature ionic liquid [bmim][BF4]: Problems with classical simulation techniques

Journal of Molecular Liquids

Volumn 131-132, Issue SPEC. ISS., 2007, Pages 17-23

  Bagno, Alessandro ^a   D'Amico, Fabio ^a   Saielli, Giacomo ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b INSTITUTE ON MEMBRANE TECHNOLOGY   (Italy)

Author keywords

Computer simulation; DFT; Diffusion; Ionic liquids

Indexed keywords

COMPUTER SIMULATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; THERMAL EFFECTS;

FORCE FIELDS; IONIC LIQUIDS; SIMULATION TECHNIQUES;

DIFFUSION;

EID: 33845909284     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2006.08.023     Document Type: Article

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