Comparison between ab initio and polarizable molecular dynamics simulations of 1-butyl-3-methylimidazolium tetrafluoroborate and chloride in water

Publication date: 1 September 2021Source: Journal of Molecular Liquids, Volume 337Author(s): András Szabadi, Roman Elfgen, Roberto Macchieraldo, Fiona L. Kearns, H. Lee Woodcock, Barbara Kirchner, Christian Schröder
Source: Journal of Molecular Liquids - Category: Molecular Biology Source Type: research