The numbers in front of the articles below refer to the full chronological publication list.
| 60 | E. Roos, C. Gradaus, D. Sebastiani, M. Brehm*:
"A Force Field for the Solubility of Cellulose in DMSO/Ionic Liquids"
Cellulose 2024, accepted. (DOI 10.1007/s10570-024-05854-4 ) ⭳Bib |
| 58 | E. Roos, D. Sebastiani, M. Brehm*:
"BILFF: All-Atom Force Field for Modeling Triazolium- and Benzoate-Based Ionic Liquids"
Molecules 2023, 28 (22), 7592. (DOI 10.3390/molecules28227592 ) ⭳Bib |  |
| 57 | M.-A. Codescu, T. Kunze, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani*, E. T. J. Nibbering*:
"Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole"
J. Phys. Chem. Lett. 2023, 14, 4775–4785. (DOI 10.1021/acs.jpclett.3c00595 ) ⭳Bib | |
| 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. (1 citation, DOI 10.1039/D2CP05636D ) ⭳Bib |
| 55 | J. Radicke, E. Roos, D. Sebastiani, M. Brehm*, J. Kressler*:
"Lactate-Based Ionic Liquids as Chiral Solvents for Cellulose"
J. Polym. Sci. 2023, 61 (5), 372–384. (1 citation, DOI 10.1002/pol.20220687 ) ⭳Bib |  | |
| 47 | M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani*, E. T. J. Nibbering*:
"Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate"
J. Phys. Chem. A 2021, 125 (9), 1845–1859. (9 citations, DOI 10.1021/acs.jpca.0c10191 ) ⭳Bib | |
| 41 | M. Brehm*, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler:
"Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions"
Molecules 2020, 25 (15), 3539. (22 citations, DOI 10.3390/molecules25153539 ) ⭳Bib | |
| 39 | C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani*:
"Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond Scale"
J. Chem. Phys. 2020, 152 (16), 164110. (4 citations, DOI 10.1063/5.0002167 ) ⭳Bib |
| 38 | C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani*:
"Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations"
J. Chem. Phys. 2020, 152 (11), 114114. (5 citations, DOI 10.1063/1.5140635 ) ⭳Bib |
| 37 | L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, W. Widdra*:
"From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth"
Nanoscale 2020, 12, 3834–3845. (4 citations, DOI 10.1039/C9NR06592J ) ⭳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. (42 citations, DOI 10.1021/acs.jpcb.8b12082 ) ⭳Bib | | |
| 32 | S. Pylaeva, M. Brehm, D. Sebastiani*:
"Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effects"
Sci. Rep. 2018, 8, 13626. (36 citations, DOI 10.1038/s41598-018-31935-z ) ⭳Bib | |
| 31 | M. Brehm*, D. Sebastiani:
"Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate"
J. Chem. Phys. 2018, 148, 193802. (19 citations, DOI 10.1063/1.5010342 ) ⭳Bib |
| 28 | C. Peschel, M. Brehm, D. Sebastiani*:
"Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)"
Polymers 2017, 9 (9), 445. (1 citation, DOI 10.3390/polym9090445 ) ⭳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. (5 citations, DOI 10.1021/acs.jpcb.7b06520 ) ⭳Bib |
