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Publication List of Martin Brehm

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— 14 Joint Publications with Daniel Sebastiani —

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The numbers in front of the articles below refer to the full chronological publication list.

58E. 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
Open Access
57M.-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
Open Access
56E. 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
55J. 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
Cover ArtOpen Access
47M.-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
Open Access
41M. 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
Open Access
39C. 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
38C. 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
37L. 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
Open Access
35M. 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
Cover ArtOpen Access
32S. 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
Open Access
31M. 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
28C. 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
Open Access
27M. 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