| 1 |
Robustness of the Hydrogen Bond and Ion Pair Dynamics in Ionic Liquids to Different Parameters from the Reactive Flux Method
Gehrke S, Kirchner B
Journal of Chemical and Engineering Data, 65(3), 1146, 2020 |
| 2 |
Cluster-Weighting in Bulk Phase Vibrational Circular Dichroism
Blasius J, Kirchner B
Journal of Physical Chemistry B, 124(33), 7272, 2020 |
| 3 |
Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics
Alizadeh V, Malberg F, Padua AAH, Kirchner B
Journal of Physical Chemistry B, 124(34), 7433, 2020 |
| 4 |
A Cluster Approach for Activity Coefficients: General Theory and Implementation
Ingenmey J, Blasius J, Marchelli G, Riegel A, Kirchner B
Journal of Chemical and Engineering Data, 64(1), 255, 2019 |
| 5 |
Tuning Solvent Miscibility: A Fundamental Assessment on the Example of Induced Methanol/n-Dodecane Phase Separation
Macchieraldo R, Gehrke S, Batchu NK, Kirchner B, Binnemans K
Journal of Physical Chemistry B, 123(20), 4400, 2019 |
| 6 |
Molecular Dynamics Simulations of Lithium Doped Ionic-Liquid Electrolytes (vol 122, pg 10535, 2018)
Ray P, Balducci A, Kirchner B
Journal of Physical Chemistry B, 123(12), 2728, 2019 |
| 7 |
Molecular Dynamics Simulations of Lithium-Doped Ionic-Liquid Electrolytes
Ray P, Balducci A, Kirchner B
Journal of Physical Chemistry B, 122(46), 10535, 2018 |
| 8 |
Ab initio molecular dynamics simulations of SO2 solvation in choline chloride/glycerol deep eutectic solvent
Korotkevich A, Firaha DS, Padua AAH, Kirchner B
Fluid Phase Equilibria, 448, 59, 2017 |
| 9 |
Structural Investigations on Lithium-Doped Protic and Aprotic Ionic Liquids
Ray P, Vogl T, Balducci A, Kirchner B
Journal of Physical Chemistry B, 121(20), 5279, 2017 |
| 10 |
Complex Structural and Dynamical Interplay of Cyano-Based Ionic Liquids
Weber H, Kirchner B
Journal of Physical Chemistry B, 120(9), 2471, 2016 |
