Computational study of the electrostatic potential and charges of multivalent ionic liquid molecules
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DOI: 10.1016/j.molliq.2021.117190
Abstract: Abstract The electrostatic interactions in ionic liquids (ILs) can be difficult to quantify, but this information is very valuable for improving intermolecular potentials for performing molecular-level simulations. Although polarizable forcefields can provide improved accuracy, the… read more here.
Keywords: electrostatic potential; charges multivalent; computational study; charge ... See more keywords