TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories von Brehm, Martin, Kirchner, Barbara

Volltext

Complex Structural and Dynamical Interplay of Cyano-Based Ionic Liquids von Weber, Henry, Kirchner, Barbara

Volltext

Charge Spreading in Deep Eutectic Solvents von Zahn, Stefan, Kirchner, Barbara, Mollenhauer, Doreen

Volltext

On the origin of ionicity in ionic liquids. Ion pairing versus charge transfer von Hollóczki, Oldamur, Malberg, Friedrich, Welton, Tom, Kirchner, Barbara

Volltext

Computing vibrational spectra from ab initio molecular dynamics von Thomas, Martin, Brehm, Martin, Fligg, Reinhold, Vöhringer, Peter, Kirchner, Barbara

Volltext

Performance of dispersion-corrected density functional theory for the interactions in ionic liquids von Grimme, Stefan, Hujo, Waldemar, Kirchner, Barbara

Volltext

Molecular Dynamics Simulations of Lithium-Doped Ionic-Liquid Electrolytes von Ray, Promit, Balducci, Andrea, Kirchner, Barbara

Volltext

Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids von Firaha, Dzmitry S., Kirchner, Barbara

Volltext

Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids von Brehm, Martin, Weber, Henry, Thomas, Martin, Hollóczki, Oldamur, Kirchner, Barbara

Volltext

The Catalytic Effect of Fluoroalcohol Mixtures Depends on Domain Formation von Hollóczki, Oldamur, Berkessel, Albrecht, Mars, Julian, Mezger, Markus, Wiebe, Anton, Waldvogel, Siegfried R, Kirchner, Barbara

Volltext

Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-fluorinated Aprotic Ionic-Liquid Mixtures von Hollóczki, Oldamur, Macchiagodena, Marina, Weber, Henry, Thomas, Martin, Brehm, Martin, Stark, Annegret, Russina, Olga, Triolo, Alessandro, Kirchner, Barbara

Volltext

Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ( [ CH 3 NH 3 ] [ NO 3 ] ) from ab initio molecular dynamics simulations von Zahn, Stefan, Thar, Jens, Kirchner, Barbara

Volltext

The Ionic Product of Water in the Eye of the Quantum Cluster Equilibrium von Kirchner, Barbara, Ingenmey, Johannes, von Domaros, Michael, Perlt, Eva

Volltext

Predicting the Ionic Product of Water von Perlt, Eva, von Domaros, Michael, Kirchner, Barbara, Ludwig, Ralf, Weinhold, Frank

Volltext

Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl) von Zahn, Stefan, Uhlig, Frank, Thar, Jens, Spickermann, Christian, Kirchner, Barbara

Volltext

Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids von Weber, Henry, Hollóczki, Oldamur, Pensado, Alfonso S, Kirchner, Barbara

Volltext

CO2 Absorption in the Protic Ionic Liquid Ethylammonium Nitrate von Firaha, Dzmitry S, Kirchner, Barbara

Volltext

Task-Specific Ionic Liquid for Solubilizing Metal Oxides von Nockemann, Peter, Thijs, Ben, Pittois, Stijn, Thoen, Jan, Glorieux, Christ, Van Hecke, Kristof, Van Meervelt, Luc, Kirchner, Barbara, Binnemans, Koen

Volltext

Ring-Opening Reaction of 1-Phospha-2-Azanorbornenes via P-N Bond Cleavage and Reversibility Studies von Ramazanova, Kyzgaldak, Müller, Anna Karina, Lönnecke, Peter, Hollóczki, Oldamur, Kirchner, Barbara, Hey-Hawkins, Evamarie

Volltext

Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide von Kohagen, Miriam, Brehm, Martin, Thar, Jens, Zhao, Wei, Müller-Plathe, Florian, Kirchner, Barbara

Volltext