Structure and ion-ion interactions in trifluoroacetate-based ionic liquids: Quantum chemical and molecular dynamics simulation studies
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DOI: 10.1016/j.molliq.2021.115449
Abstract: Abstract Ionic liquids (ILs) raise quite interesting but complicated questions for computational study due to the fact that different interactions, e.g., electrostatic interactions, charge-transfer interactions, steric repulsion, dispersion and hydrogen bonding that determine structural organization… read more here.
Keywords: implicit solvent; ion; trifluoroacetate based; molecular dynamics ... See more keywords