Institut für Physikalische und Theoretische Chemie: Auflistung Institut für Physikalische und Theoretische Chemie nach Autor "Kirchner, Barbara"
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Activity coefficients of binary methanol alcohol mixtures from cluster weighting
Kirchner, Barbara; Ingenmey, Johannes Carl Maria; Marchelli, Gwydyon (2020-07-23)The hydrogen bond network of different small alcohols is investigated via cluster analysis. Methanol/alcohol mixtures are studied with increasing chain length and branching of the molecule. Those changes can play an important ... -
Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water
Macchieraldo, Roberto; Esser, Lars; Elfgen, Roman; Voepel, Pascal; Zahn, Stefan; Smarsly, Bernd M.; Kirchner, Barbara (2018-08)With the aid of ab initio molecular dynamics simulations, we investigate an ionic liquid (IL) mixture composed of three components 1-butyl-3-methylimidazolium [C<sub>4</sub>C<sub>1</sub>Im]<sup>+</sup>, ...