| Structure and lifetimes in ionic liquids and their mixtures S Gehrke, M von Domaros, R Clark, O Hollóczki, M Brehm, T Welton, ... Faraday discussions 206, 219-245, 2018 | 87 | 2018 |
| The impact of clothing on ozone and squalene ozonolysis products in indoor environments PSJ Lakey, GC Morrison, Y Won, KM Parry, M von Domaros, DJ Tobias, ... Communications Chemistry 2 (1), 56, 2019 | 63 | 2019 |
| Predicting the Ionic Product of Water E Perlt, M von Domaros, B Kirchner, R Ludwig, F Weinhold Scientific Reports 7 (1), 10244, 2017 | 49 | 2017 |
| What can clusters tell us about the bulk?: Peacemaker: Extended quantum cluster equilibrium calculations B Kirchner, C Spickermann, SBC Lehmann, E Perlt, J Langner, ... Computer Physics Communications 182 (7), 1428-1446, 2011 | 48 | 2011 |
| Binary systems from quantum cluster equilibrium theory M Brüssel, E Perlt, SBC Lehmann, M von Domaros, B Kirchner The Journal of chemical physics 135 (19), 2011 | 43 | 2011 |
| Modelling consortium for chemistry of indoor environments (MOCCIE): integrating chemical processes from molecular to room scales M Shiraiwa, N Carslaw, DJ Tobias, MS Waring, D Rim, G Morrison, ... Environmental Science: Processes & Impacts 21 (8), 1240-1254, 2019 | 40 | 2019 |
| Coupled cluster in condensed phase. Part II: Liquid hydrogen fluoride from quantum cluster equilibrium theory C Spickermann, E Perlt, M von Domaros, M Roatsch, J Friedrich, ... Journal of Chemical Theory and Computation 7 (4), 868-875, 2011 | 40 | 2011 |
| Anisotropic structure and dynamics of water under static electric fields M Shafiei, M von Domaros, D Bratko, A Luzar The Journal of Chemical Physics 150 (7), 2019 | 39 | 2019 |
| Importance of structural motifs in liquid hydrogen fluoride E Perlt, J Friedrich, M von Domaros, B Kirchner ChemPhysChem 12 (17), 3474-3482, 2011 | 37 | 2011 |
| Multiscale modeling of human skin oil-induced indoor air chemistry: Combining kinetic models and molecular dynamics M von Domaros, PSJ Lakey, M Shiraiwa, DJ Tobias The Journal of Physical Chemistry B 124 (18), 3836-3843, 2020 | 32 | 2020 |
| Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory J Ingenmey, M von Domaros, E Perlt, SP Verevkin, B Kirchner The Journal of Chemical Physics 148 (19), 2018 | 32 | 2018 |
| Peacemaker 2: Making clusters talk about binary mixtures and neat liquids M von Domaros, E Perlt, J Ingenmey, G Marchelli, B Kirchner SoftwareX 7, 356-359, 2018 | 30 | 2018 |
| Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid R Clark, M von Domaros, AJS McIntosh, A Luzar, B Kirchner, T Welton The Journal of Chemical Physics 151 (16), 2019 | 26 | 2019 |
| Quantum cluster equilibrium model of N-methylformamide–water binary mixtures M von Domaros, S Jähnigen, J Friedrich, B Kirchner The Journal of Chemical Physics 144 (6), 2016 | 26 | 2016 |
| Dynamics at a Janus interface M von Domaros, D Bratko, B Kirchner, A Luzar The Journal of Physical Chemistry C 117 (9), 4561-4567, 2013 | 23 | 2013 |
| Predicting Mole‐Fraction‐Dependent Dissociation for Weak Acids J Blasius, J Ingenmey, E Perlt, M von Domaros, O Hollóczki, B Kirchner Angewandte Chemie International Edition 58 (10), 3212-3216, 2019 | 21 | 2019 |
| Predicting miscibility of binary liquids from small cluster QCE calculations J Ingenmey, M von Domaros, B Kirchner The Journal of Chemical Physics 146 (15), 2017 | 20 | 2017 |
| Molecular Orientation at the Squalene/Air Interface from Sum Frequency Generation Spectroscopy and Atomistic Modeling M Von Domaros, Y Liu, JL Butman, E Perlt, FM Geiger, DJ Tobias The Journal of Physical Chemistry B 125 (15), 3932-3941, 2021 | 18 | 2021 |
| Multiphase ozonolysis of oleic acid-based lipids: Quantitation of major products and kinetic multilayer modeling Z Zhou, PSJ Lakey, M von Domaros, N Wise, DJ Tobias, M Shiraiwa, ... Environmental Science & Technology 56 (12), 7716-7728, 2022 | 16 | 2022 |
| Anharmonic effects in the quantum cluster equilibrium method M von Domaros, E Perlt The Journal of Chemical Physics 146 (12), 2017 | 16 | 2017 |
