Counter-ion binding and mobility in the presence of hydrophobic polyions – combining molecular dynamics simulations and NMR

Counter-ion binding and mobility in aqueous solutions of partially hydrophobic ionene oligoions is studied here by a combination of all-atomic molecular dynamics (MD) simulations and NMR (19F and 81Br nuclei) measurements. We present results for 12, 12–ionenes in the presence of different halide ion...

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Bibliographic Details
Main Authors: Maksym Druchok, Natalie Malikova, Anne-Laure Rollet, Vojko Vlachy
Format: Article
Language:English
Published: AIP Publishing LLC 2016-06-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4954292