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On the simultaneous description of H-bonding and dipolar interactions with point charges in force field models

, , , , and . AIChE Journal, 61 (9): 2926-2932 (2015)

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Density of ethanolic alkali halide salt solutions by experiment and molecular simulation, , and . Fluid Phase Equilibria, (2016)Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces., , , , , , , , and . High Performance Computing in Science and Engineering, Springer, (2013)Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces, , , , , , , , and . High Performance Computing in Science and Engineering '13, Transactions of the High Performance Computing Center, Stuttgart (HLRS), page 647-661. Cham - Heidelberg, Springer, (2013)ms2: A molecular simulation tool for thermodynamic properties, release 3.0, , , , , , , , , and 5 other author(s). Computer Physics Communications, (2017)Temperature dependence of the density of aqueous alkali halide salt solutions by experiment and molecular simulation, , and . Journal of Chemical & Engineering Data, 59 (11): 3434-3448 (2014)Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure, , , and . Journal of Chemical Physics, (2016)ms2: A molecular simulation tool for thermodynamic properties, new version release, , , , , , , , , and 2 other author(s). Computer Physics Communications, 185 (12): 3302-3306 (2014)Density of methanolic alkali halide salt solutions by experiment and molecular simulation, , and . Journal of Chemical Engineering Data, 60 (6): 1614-1628 (2015)Hydrogen bonding of ethanol in supercritical mixtures with CO$_2$ by $^1$H NMR spectroscopy and molecular simulation, , , and . Journal of Supercritical Fluids, (2012)Atomistic simulations of electrolyte solutions and hydrogels with explicit solvent models, , , , , and . page 185-199. Springer, Berlin - Heidelberg - New York, (2012)