The numbers in front of the articles below refer to the full chronological publication list.
| 64 | M. Iannuzzi, J. Wilhelm, F. Stein, A. Bussy, H. Elgabarty, D. Golze, A.-S. Hehn, M. Graml, Š. Marek, B. Sertcan Gökmen, C. Schran, H. Forbert, R. Khaliullin, A. Kozhevnikov, M. Taillefumier, R. Meli, V. Rybkin, M. Brehm, R. Schade, O. Schütt, J. Pototschnig, H. Mirhosseini, A. Knüpfer, D. Marx, M. Krack, J. Hutter, T. Kühne*:
"The CP2K Program Package Made Simple"
J. Phys. Chem. B 2025, accepted. ⭳Bib |
| 49 | S. Roy, M. Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington, S. Mahurin, S. Dai, A. Ivanov*, C. Margulis*, V. Bryantsev*:
"Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics"
J. Phys. Chem. B 2021, 125 (22), 5971–5982. (48 citations, DOI 10.1021/acs.jpcb.1c03786 ) ⭳Bib |  |  |
| 42 | J. Hunold, J. Eisermann, M. Brehm, D. Hinderberger*:
"Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water"
J. Phys. Chem. B 2020, 124 (39), 8601–8609. (22 citations, DOI 10.1021/acs.jpcb.0c04863 ) ⭳Bib |
| 35 | M. Brehm*, M. Pulst, J. Kressler, D. Sebastiani:
"Triazolium-Based Ionic Liquids – A Novel Class of Cellulose Solvents"
J. Phys. Chem. B 2019, 123 (18), 3994–4003. (59 citations, DOI 10.1021/acs.jpcb.8b12082 ) ⭳Bib | | |
| 27 | M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani*:
"Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers"
J. Phys. Chem. B 2017, 121 (35), 8311–8321. (8 citations, DOI 10.1021/acs.jpcb.7b06520 ) ⭳Bib |
| 12 | O. Hollóczki*, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner*:
"Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?"
J. Phys. Chem. B 2013, 117 (19), 5898–5907. (108 citations, DOI 10.1021/jp4004399 ) ⭳Bib |
| 6 | M. Kohagen, M. Brehm, Y. Lingscheid, R. Giernoth, J. Sangoro, F. Kremer, S. Naumov, C. Iacob, J. Kärger, R. Valiullin, B. Kirchner*:
"How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1-n-Butyl-3-Methylimidazolium Bromide"
J. Phys. Chem. B 2011, 115 (51), 15280–15288. (122 citations, DOI 10.1021/jp206974h ) ⭳Bib |
| 3 | M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, B. Kirchner*:
"Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-Methylimidazolium Bromide"
J. Phys. Chem. B 2011, 115 (4), 693–702. (143 citations, DOI 10.1021/jp109612k ) ⭳Bib |
| 1 | J. Thar, M. Brehm, A. P. Seitsonen, B. Kirchner*:
"Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids"
J. Phys. Chem. B 2009, 113 (46), 15129–15132. (115 citations, DOI 10.1021/jp908110j ) ⭳Bib |
