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Physical Chemistry Chemical Physics : PCCP|April 18, 2014
Electrical conductivity and glass formation in nitrile-functionalized pyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids: chain length and odd-even effects of the alkyl spacer between the pyrrolidinium ring and the nitrile groupJan Leys, Chandra Shekhar Pati Tripathi, Christ Glorieux, et al.Physical Chemistry Chemical Physics : PCCP|January 14, 2015
Order in the chaos: the secret of the large negative entropy of dissolving 1-alkyl-3-methylimidazolium chloride in trihexyltetradecylphosphonium chlorideStefan Zahn, Annegret StarkThe Journal of Physical Chemistry. B|May 2, 2022
Ion Correlation in Choline Chloride-Urea Deep Eutectic Solvent (Reline) from Polarizable Molecular Dynamics SimulationsOmid Shayestehpour, Stefan ZahnACS Omega|February 16, 2026
Estimating the Hydrogen Bond Strength by Machine Learning ApproachesNahera Samangani, Stefan ZahnThe Journal of Physical Chemistry. B|August 14, 2020
Molecular Features of Reline and Homologous Deep Eutectic Solvents Contributing to Nonideal Mixing BehaviorOmid Shayestehpour, Stefan ZahnThe Journal of Chemical Physics|October 1, 2024
Structure and transport properties of LiTFSI-based deep eutectic electrolytes from machine-learned interatomic potential simulationsOmid Shayestehpour, Stefan ZahnJournal of Chemical Theory and Computation|November 16, 2023
Efficient Molecular Dynamics Simulations of Deep Eutectic Solvents with First-Principles Accuracy Using Machine Learning Interatomic PotentialsOmid Shayestehpour, Stefan ZahnJournal of Chemical Information and Modeling|July 19, 2011
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectoriesMartin Brehm, Barbara KirchnerJournal of the American Chemical Society|June 16, 2005
Understanding the template preorganization step of an artificial arginine receptorBarbara Kirchner, Markus ReiherThe Journal of Chemical Physics|September 2, 2021
Molecular level insight into the solvation of cellulose in deep eutectic solventsVahideh Alizadeh, Barbara KirchnerPageof 23