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Published in 2023 at "Soft matter"
DOI: 10.1039/d3sm00062a
Abstract: Molecular dynamics simulations were performed to study the hydration and ion association properties of a library of zwitterionic molecules with varying charged moieties and spacer chemistries in pure water and with Na+ and Cl- ions.…
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Keywords:
association properties;
hydration;
hydration ion;
ion association ... See more keywords
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Published in 2019 at "Russian Journal of Inorganic Chemistry"
DOI: 10.1134/s0036023619100152
Abstract: The complex formation and the ion-association of the ion-pair formed between the anionic chelate of molybdenum(VI)‒3,5-dinitrocatechol (3,5-DNC) with the cation of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) in the liquid–liquid extraction system Mo(VI)‒3,5-DNC‒MTT‒H2O‒CHCl3 was studied by spectrophotometry. The…
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Keywords:
ion association;
chelate;
formation ion;
ion ... See more keywords
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Published in 2019 at "Journal of The Electrochemical Society"
DOI: 10.1149/2.1061914jes
Abstract: We provide a quantum chemical computational framework to calculate ion association constants relevant to lithium ion battery electrolytes. We compare our method to reported experimental values as the solvent, cation, and anion are varied. For…
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Keywords:
ion association;
chemistry;
ion;
association constants ... See more keywords