@articleKöring_Birenheide_Krämer_Wenzel_Schoch_Brehm_Breher_Paradies_2024, title=Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements, DOI=10.1002/ejic.202400057, journal=European Journal of Inorganic Chemistry, publisher=Wiley, author=Köring, Laura and Birenheide, Bernhard and Krämer, Felix and Wenzel, Jonas O. and Schoch, Roland and Brehm, Martin and Breher, Frank and Paradies, Jan, year=2024 

@articleLass_Kenter_Plessl_Brehm_2024, title=Characterizing Microheterogeneity in Liquid Mixtures via Local Density Fluctuations, volume=26, DOI=10.3390/e26040322, number=4322, journal=Entropy, publisher=MDPI AG, author=Lass, Michael and Kenter, Tobias and Plessl, Christian and Brehm, Martin, year=2024 

@articleCodescu_Kunze_Weiß_Brehm_Kornilov_Sebastiani_Nibbering_2023, title=Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole, volume=14, DOI=10.1021/acs.jpclett.3c00595, journal=J. Phys. Chem. Lett., author=Codescu, M.-A. and Kunze, T. and Weiß, M. and Brehm, Martin and Kornilov, O. and Sebastiani, D. and Nibbering, E. T. J., year=2023, pages=4775–4785 

@articleRoos_Sebastiani_Brehm_2023, title=A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc] / Water Mixtures, volume=25 (12), DOI=10.1039/D2CP05636D, journal=Phys. Chem. Chem. Phys., author=Roos, E. and Sebastiani, D. and Brehm, Martin, year=2023, pages=8755–8766 

@articleRadicke_Roos_Sebastiani_Brehm_Kressler_2023, title=Lactate-Based Ionic Liquids as Chiral Solvents for Cellulose, volume=61 (5), DOI=10.1002/pol.20220687, journal=J. Polym. Sci., author=Radicke, J. and Roos, E. and Sebastiani, D. and Brehm, Martin and Kressler, J., year=2023, pages=372–384 

@articleYang_Cheramy_Brehm_Xu_2022, title=Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid”10.1002/cphc.202200161__Model and ab initio Molecular Dynamics Simulations, volume=23 (11), DOI=10.1002/cphc.202200161, journal=ChemPhysChem, author=Yang, Y. and Cheramy, J. and Brehm, Martin and Xu, Y., year=2022, pages=e202200161 

@articleChahal_Roy_Brehm_Banerjee_Bryantsev_Lam_2022, title=Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–Zr Molten Salt, volume=2 (12), DOI=10.1021/jacsau.2c00526, journal=JACS Au, author=Chahal, R. and Roy, S. and Brehm, Martin and Banerjee, S. and Bryantsev, V. and Lam, S., year=2022, pages=2693–2702 

@articleTaherivardanjani_Blasius_Brehm_Dötzer_Kirchner_2022, title=Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives, volume=126 (40), DOI=10.1021/acs.jpca.2c03133, journal=J. Phys. Chem. A, author=Taherivardanjani, S. and Blasius, J. and Brehm, Martin and Dötzer, R. and Kirchner, B., year=2022, pages=7070–7083 

@articleFrömbgen_Blasius_Alizadeh_Chaumont_Brehm_Kirchner_2022, title=Cluster Analysis in Liquids: A Novel Tool in TRAVIS, volume=62 (22), DOI=10.1021/acs.jcim.2c01244, journal=J. Chem. Inf. Model., author=Frömbgen, T. and Blasius, J. and Alizadeh, V. and Chaumont, A. and Brehm, Martin and Kirchner, B., year=2022, pages=5634–5644 

@articleRoos_Brehm_2021, title=A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures, volume=23, DOI=10.1039/D0CP04537C, journal=Phys. Chem. Chem. Phys., author=Roos, E. and Brehm, Martin, year=2021, pages=1242–1253 

@articleBrehm_Thomas_2021, title=Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations, volume=26 (7), DOI=10.3390/molecules26071875, journal=Molecules, author=Brehm, Martin and Thomas, M., year=2021, pages=1875 

@articleRoy_Brehm_Sharma_Wu_Maltsev_Halstenberg_Gallington_Mahurin_Dai_Ivanov_et al._2021, title=Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics, volume=125 (22), DOI=10.1021/acs.jpcb.1c03786, journal=J. Phys. Chem. B, author=Roy, S. and Brehm, Martin and Sharma, S. and Wu, F. and Maltsev, D. and Halstenberg, P. and Gallington, L. and Mahurin, S. and Dai, S. and Ivanov, A. and et al., year=2021, pages=5971–5982 

@articleTriolo_Pietro_Mele_Celso_Brehm_Lisio_Martinelli_Chater_Russina_2021, title=Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent, volume=154, DOI=10.1063/5.0054048, journal=J. Chem. Phys., author=Triolo, A. and Pietro, M. E. Di and Mele, A. and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Martinelli, A. and Chater, P. and Russina, O., year=2021, pages=244501 

@articleCodescu_Weiß_Brehm_Kornilov_Sebastiani_Nibbering_2021, title=Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate, volume=125 (9), DOI=10.1021/acs.jpca.0c10191, journal=J. Phys. Chem. A, author=Codescu, M.-A. and Weiß, M. and Brehm, Martin and Kornilov, O. and Sebastiani, D. and Nibbering, E. T. J., year=2021, pages=1845–1859 

@articleMukherjee_Tripathi_Brehm_Riplinger_Dutta_2021, title=Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study, volume=17 (1), DOI=10.1021/acs.jctc.0c00655, journal=J. Chem. Theory Comput., author=Mukherjee, M. and Tripathi, D. and Brehm, Martin and Riplinger, C. and Dutta, A. K., year=2021, pages=105–116 

@articleTriolo_Celso_Brehm_Lisio_Russina_2021, title=Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization, volume=331, DOI=10.1016/j.molliq.2021.115750, journal=J. Mol. Liq., author=Triolo, A. and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Russina, O., year=2021, pages=115750 

@articleDreßler_Kabbe_Brehm_Sebastiani_2020, title=Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsPO4 on the Micrometer and Microsecond Scale, volume=152 (16), DOI=10.1063/5.0002167, journal=J. Chem. Phys., author=Dreßler, C. and Kabbe, G. and Brehm, Martin and Sebastiani, D., year=2020, pages=164110 

@articleBrehm_Radicke_Pulst_Shaabani_Sebastiani_Kressler_2020, title=Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions, volume=25 (15), DOI=10.3390/molecules25153539, journal=Molecules, author=Brehm, Martin and Radicke, J. and Pulst, M. and Shaabani, F. and Sebastiani, D. and Kressler, J., year=2020, pages=3539 

@articleHunold_Eisermann_Brehm_Hinderberger_2020, title=Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water, volume=124 (39), DOI=10.1021/acs.jpcb.0c04863, journal=J. Phys. Chem. B, author=Hunold, J. and Eisermann, J. and Brehm, Martin and Hinderberger, D., year=2020, pages=8601–8609 

@articleScarbath-Evers_Hammer_Golze_Brehm_Sebastiani_Widdra_2020, title=From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth, volume=12, DOI=10.1039/C9NR06592J, journal=Nanoscale, author=Scarbath-Evers, L. and Hammer, R. and Golze, D. and Brehm, Martin and Sebastiani, D. and Widdra, W., year=2020, pages=3834–3845