RSC Advances · 2017 · 18 citations · 54 references
Natural SciencesChemistryComputational ChemistryPhysical ChemistryTheoretical ChemistryMolecular DynamicsSolution ChemistrySolvation TheoryIon-water InteractionsIonic LiquidsIonic Liquids ModelingIonic Liquids Simulation
In this study we have explored, by means of <italic>ab initio</italic> molecular dynamics, a subset of three different water/cho<sup>+</sup>–phe<sup>−</sup> mixtures.
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Generalized Gradient Approximation Made Simple
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Natural Sciences, Chemistry, Physics +16
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