| Hydrophilic ionic liquid mixtures of weakly and strongly coordinating anions with and without water R Macchieraldo, L Esser, R Elfgen, P Voepel, S Zahn, BM Smarsly, ... ACS omega 3 (8), 8567-8582, 2018 | 40 | 2018 |
| Unraveling the nano-structure of a glassy CaO-FeO-SiO2 slag by molecular dynamics simulations C Siakati, R Macchieraldo, B Kirchner, F Tielens, A Peys, D Seveno, ... Journal of Non-Crystalline Solids 528, 119771, 2020 | 29 | 2020 |
| Interfacial domain formation enhances electrochemical synthesis O Holloczki, R Macchieraldo, B Gleede, SR Waldvogel, B Kirchner The journal of physical chemistry letters 10 (6), 1192-1197, 2019 | 27 | 2019 |
| Comparison between ab initio and polarizable molecular dynamics simulations of 1-butyl-3-methylimidazolium tetrafluoroborate and chloride in water A Szabadi, R Elfgen, R Macchieraldo, FL Kearns, HL Woodcock, ... Journal of Molecular Liquids 337, 116521, 2021 | 19 | 2021 |
| Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H 2 and CO 2 J Baima, R Macchieraldo, C Pettinari, S Casassa CrystEngComm 17 (2), 448-455, 2015 | 12 | 2015 |
| Tuning Solvent Miscibility: A Fundamental Assessment on the Example of Induced Methanol/n-Dodecane Phase Separation R Macchieraldo, S Gehrke, NK Batchu, B Kirchner, K Binnemans The Journal of Physical Chemistry B 123 (20), 4400-4407, 2019 | 11 | 2019 |
| Understanding the fluidity of condensed phase systems in terms of voids—novel algorithm, implementation and application S Gehrke, R Macchieraldo, B Kirchner Physical Chemistry Chemical Physics 21 (9), 4988-4997, 2019 | 8 | 2019 |
| TiCl4 Dissolved in Ionic Liquid Mixtures from Аb Initio Molecular Dynamics Simulations L Esser, R Macchieraldo, R Elfgen, M Sieland, BM Smarsly, B Kirchner Molecules 26 (1), 79, 2020 | 5 | 2020 |
| Understanding the Complex Surface Interplay for Extraction: A Molecular Dynamics Study R Macchieraldo, J Ingenmey, B Kirchner Chemistry–A European Journal 26 (65), 14969-14977, 2020 | | 2020 |
| Hydrogen Bond Dynamics of N-Heterocyclic Carbenes S Gehrke, R Macchieraldo, O Hollóczki, B Kirchner | | |
