68 citations · 127 across the 4 of their papers we have counts for
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cond-mat.soft2021★ 13 cited
Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure
Kalil Bernardino, Kateryna Goloviznina, Agílio A. H. Padua +2
The numerous combinations of cations and anions turn out possible to produce ionic liquids with fine-tuned properties once the correlation with the molecular structure is known. In…
cond-mat.soft2017★ 68 cited
Resolving Dispersion and Induction Components for Polarisable Molecular Simulations of Ionic Liquids
Agílio A. H. Pádua
One important development in interaction potential models, or atomistic force fields, for molecular simulation is the inclusion of explicit polarisation, which represents the induc…