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Physical Chemistry Chemical Physics : PCCP|March 6, 2012
Proton transfer and polarity changes in ionic liquid-water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate-water mixtures--part 1Martin Brehm, Henry Weber, Alfonso S Pensado, et al.The Journal of Chemical Physics|December 3, 2016
Can dispersion corrections annihilate the dispersion-driven nano-aggregation of non-polar groups? An ab initio molecular dynamics study of ionic liquid systemsDzmitry S Firaha, Martin Thomas, Oldamur Hollóczki, et al.The Journal of Physical Chemistry. B|April 30, 2019
Tuning Solvent Miscibility: A Fundamental Assessment on the Example of Induced Methanol/ n-Dodecane Phase SeparationRoberto Macchieraldo, Sascha Gehrke, Nagaphani K Batchu, et al.The Journal of Chemical Physics|November 7, 2012
A one-parameter quantum cluster equilibrium approachMarc Brüssel, Eva Perlt, Michael von Domaros, et al.Scientific Reports|September 2, 2017
Predicting the Ionic Product of WaterEva Perlt, Michael von Domaros, Barbara Kirchner, et al.ACS Omega|February 21, 2022
Ionic Liquid-Based Low-Temperature Synthesis of Crystalline Ti(OH)OF·0.66H2O: Elucidating the Molecular Reaction Steps by NMR Spectroscopy and Theoretical StudiesMelanie Sieland, Manuel Schenker, Lars Esser, et al.Journal of Chemical Theory and Computation|February 19, 2024
Quantum Cluster Equilibrium Theory for Multicomponent LiquidsTom Frömbgen, Katrin Drysch, Paul Zaby, et al.Chemical Communications (Cambridge, England)|May 19, 2011
Exo-cyclopamine--a stable and potent inhibitor of hedgehog-signalingPhilipp Heretsch, Anita Büttner, Lito Tzagkaroulaki, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 3, 2012
Effect of dispersion on the structure and dynamics of the ionic liquid 1-ethyl-3-methylimidazolium thiocyanateAlfonso S Pensado, Martin Brehm, Jens Thar, et al.Angewandte Chemie (International Ed. in English)|May 2, 2025
Induced Chirality and Vibrational Optical Activity in an Ionic-Liquid AnionTom Frömbgen, Katrin Drysch, Thierry Tassaing, et al.Pageof 18