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Pure Appl. Chem., 2010, Vol. 82, No. 10, pp. 1943-1955

http://dx.doi.org/10.1351/PAC-CON-09-10-41

Published online 2010-08-01

Molecular dynamics study of the hydrophobic 6,6-ionene oligocation in aqueous solution with sodium halides

Maksym Druchok1 and Vojko Vlachy2*

1 Institute for Condensed Matter Physics, Svientsitskii 1, 79011 Lviv, Ukraine
2 Faculty of Chemistry and Chemical Technology, University of Ljubljana, Aškerčeva 5, 1000 Ljubljana, Slovenia

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  • Lukšič Miha, Bončina Matjaž, Vlachy Vojko, Druchok Maksym: Isothermal titration calorimetry and molecular dynamics study of ion-selectivity in mixtures of hydrophobic polyelectrolytes with sodium halides in water. PCCP 2012, 14, 2024. <http://dx.doi.org/10.1039/c2cp23137a>
  • Seručnik Mojca, Bončina Matjaž, Lukšič Miha, Vlachy Vojko: Specific counter-ion and co-ion effects revealed in mixing of aqueous solutions of 3,3 and 6,6-ionenes with solutions of low molecular weight salts. PCCP 2012, 14, 6805. <http://dx.doi.org/10.1039/c2cp40571g>
  • Druchok Maksym, Lukšič Miha, Vlachy Vojko: Explicit water molecular dynamics study of the mobility of halide ions in presence of ionene oligocations. J. Chem. Phys. 2012, 137, 014511. <http://dx.doi.org/10.1063/1.4731718>
  • Čebašek Sašo, Lukšič Miha, Pohar Ciril, Vlachy Vojko: Thermodynamics of Dilution and the Hofmeister Series in Aqueous Solutions of Aliphatic Ionenes with Halide Counterions. J Chem Eng Data 2011, 56, 1282. <http://dx.doi.org/10.1021/je101136a>