First-principles, physically motivated force field for the ionic liquid [BMIM][BF4]

Journal of Physical Chemistry Letters

Volumn 5, Issue 15, 2014, Pages 2670-2674

  Choi, Eunsong ^a   McDaniel, Jesse G ^b   Schmidt, J R ^b   Yethiraj, Arun ^b  

^a University of Wisconsin Madison   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

force field; ionic liquids; polarizable; SAPT

Indexed keywords

DIFFUSION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

1-BUTYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE; FORCE FIELDS; INTERMOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE; ROOM TEMPERATURE IONIC LIQUIDS; SAPT; SYMMETRY ADAPTED PERTURBATION THEORY;

IONIC LIQUIDS;

EID: 84905728440     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz5010945     Document Type: Article

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