The numbers in front of the articles below refer to the full chronological publication list.
| 56 | E. Roos, D. Sebastiani, M. Brehm*:
"A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc] / Water Mixtures"
Phys. Chem. Chem. Phys. 2023, 25 (12), 8755–8766. (2 citations, DOI 10.1039/D2CP05636D ) ⭳Bib |
| 45 | E. Roos, M. Brehm*:
"A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures"
Phys. Chem. Chem. Phys. 2021, 23, 1242–1253. (10 citations, DOI 10.1039/D0CP04537C ) ⭳Bib |
| 33 | U. Cerajewski, J. Träger, S. Henkel, A. H. Roos, M. Brehm, D. Hinderberger*:
"Nanoscopic Structures and Molecular Interactions Leading to a Dystectic and two Eutectic Points in [EMIm][Cl] / Urea Mixtures"
Phys. Chem. Chem. Phys. 2018, 20, 29591–29600. (15 citations, DOI 10.1039/C8CP04912B ) ⭳Bib |  |
| 23 | M. Thomas*, M. Brehm, B. Kirchner*:
"Voronoi Dipole Moments for the Simulation of Bulk Phase Vibrational Spectra"
Phys. Chem. Chem. Phys. 2015, 17, 3207–3213. (96 citations, DOI 10.1039/C4CP05272B ) ⭳Bib |
| 15 | F. Malberg, M. Brehm, O. Hollóczki, A. S. Pensado, B. Kirchner*:
"Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-Methylimidazolium Ethylsulfate"
Phys. Chem. Chem. Phys. 2013, 15, 18424–18436. (30 citations, DOI 10.1039/C3CP52966E ) ⭳Bib |
| 14 | M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner*:
"Computing Vibrational Spectra from ab initio Molecular Dynamics"
Phys. Chem. Chem. Phys. 2013, 15, 6608–6622. (423 citations, DOI 10.1039/C3CP44302G ) ⭳Bib | |
| 10 | M. Brüssel, M. Brehm, A. S. Pensado, F. Malberg, M. Ramzan, A. Stark*, B. Kirchner*:
"On the Ideality of Binary Mixtures of Ionic Liquids"
Phys. Chem. Chem. Phys. 2012, 14, 13204–13215. (88 citations, DOI 10.1039/C2CP41926B ) ⭳Bib |
| 8 | M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner*:
"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 1"
Phys. Chem. Chem. Phys. 2012, 14, 5030–5044. (136 citations, DOI 10.1039/C2CP23983C ) ⭳Bib |
| 4 | M. Brüssel, M. Brehm, T. Voigt, B. Kirchner*:
"Ab initio Molecular Dynamics Simulations of a Binary System of Ionic Liquids"
Phys. Chem. Chem. Phys. 2011, 13, 13617–13620. (67 citations, DOI 10.1039/C1CP21550G ) ⭳Bib |
