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59 Publications
2020 | Journal Article | LibreCat-ID: 44994
@article{Dreßler_Kabbe_Brehm_Sebastiani_2020, title={Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations}, volume={152 (11)}, DOI={10.1063/1.5140635}, journal={J. Chem. Phys.}, author={Dreßler, C. and Kabbe, G. and Brehm, Martin and Sebastiani, D.}, year={2020}, pages={114114} }
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2020 | Journal Article | LibreCat-ID: 44999
@article{Weiß_Brehm_2020, title={Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence}, volume={25 (24)}, DOI={10.3390/molecules25245861}, journal={Molecules}, author={Weiß, M. and Brehm, Martin}, year={2020}, pages={5861} }
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2020 | Journal Article | LibreCat-ID: 44996
@article{Brehm_Thomas_Gehrke_Kirchner_2020, title={TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation}, volume={152 (16)}, DOI={10.1063/5.0005078}, journal={J. Chem. Phys.}, author={Brehm, Martin and Thomas, M. and Gehrke, S. and Kirchner, B.}, year={2020}, pages={164105} }
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2019 | Journal Article | LibreCat-ID: 44992
@article{Brehm_Thomas_2019, title={Computing Bulk Phase Resonance Raman Spectra from ab initio Molecular Dynamics and Real-Time TDDFT}, volume={15 (7)}, DOI={10.1021/acs.jctc.9b00512}, journal={J. Chem. Theory Comput.}, author={Brehm, Martin and Thomas, M.}, year={2019}, pages={3901–3905} }
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2019 | Journal Article | LibreCat-ID: 44991
@article{Brehm_Pulst_Kressler_Sebastiani_2019, title={Triazolium-Based Ionic Liquids – A Novel Class of Cellulose Solvents}, volume={123 (18)}, DOI={10.1021/acs.jpcb.8b12082}, journal={J. Phys. Chem. B}, author={Brehm, Martin and Pulst, M. and Kressler, J. and Sebastiani, D.}, year={2019}, pages={3994–4003} }
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2018 | Journal Article | LibreCat-ID: 44989
@article{Cerajewski_Träger_Henkel_Roos_Brehm_Hinderberger_2018, title={Nanoscopic Structures and Molecular Interactions Leading to a Dystectic and two Eutectic Points in [EMIm][Cl] / Urea Mixtures}, volume={20}, DOI={10.1039/C8CP04912B}, journal={Phys. Chem. Chem. Phys.}, author={Cerajewski, U. and Träger, J. and Henkel, S. and Roos, A. H. and Brehm, Martin and Hinderberger, D.}, year={2018}, pages={29591–29600} }
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2018 | Journal Article | LibreCat-ID: 44986
@article{Gehrke_von Domaros_Clark_Hollóczki_Brehm_Welton_Luzar_Kirchner_2018, title={Structure and Lifetimes in Ionic Liquids and their Mixtures}, volume={206}, DOI={10.1039/C7FD00166E}, journal={Faraday Discuss.}, author={Gehrke, S. and von Domaros, M. and Clark, R. and Hollóczki, O. and Brehm, Martin and Welton, T. and Luzar, A. and Kirchner, B.}, year={2018}, pages={219–245} }
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2018 | Journal Article | LibreCat-ID: 44988
@article{Pylaeva_Brehm_Sebastiani_2018, title={Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effects}, volume={8}, DOI={10.1038/s41598-018-31935-z}, journal={Sci. Rep.}, author={Pylaeva, S. and Brehm, Martin and Sebastiani, D.}, year={2018}, pages={13626} }
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2018 | Journal Article | LibreCat-ID: 44990
@article{Brehm_Thomas_2018, title={An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric Data}, volume={58 (10)}, DOI={10.1021/acs.jcim.8b00501}, journal={J. Chem. Inf. Model.}, author={Brehm, Martin and Thomas, M.}, year={2018}, pages={2092–2107} }
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2018 | Journal Article | LibreCat-ID: 44987
@article{Brehm_Sebastiani_2018, title={Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate}, volume={148}, DOI={10.1063/1.5010342}, journal={J. Chem. Phys.}, author={Brehm, Martin and Sebastiani, D.}, year={2018}, pages={193802} }
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2017 | Journal Article | LibreCat-ID: 44983
@article{Brehm_Saddiq_Watermann_Sebastiani_2017, title={Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers}, volume={121 (35)}, DOI={10.1021/acs.jpcb.7b06520}, journal={J. Phys. Chem. B}, author={Brehm, Martin and Saddiq, G. and Watermann, T. and Sebastiani, D.}, year={2017}, pages={8311–8321} }
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2017 | Journal Article | LibreCat-ID: 44982
@article{Brehm_Thomas_2017, title={Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics Simulations}, volume={8 (14)}, DOI={10.1021/acs.jpclett.7b01616}, journal={J. Phys. Chem. Lett.}, author={Brehm, Martin and Thomas, M.}, year={2017}, pages={3409–3414} }
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2017 | Journal Article | LibreCat-ID: 44981
@article{Slawik_Rickmeyer_Brehm_Böhme_Schüürmann_2017, title={Glutathione Adduct Patterns of Michael-Acceptor Carbonyls}, volume={51 (7)}, DOI={10.1021/acs.est.6b04981}, journal={Environ. Sci. Technol.}, author={Slawik, C. and Rickmeyer, C. and Brehm, Martin and Böhme, A. and Schüürmann, G.}, year={2017}, pages={4018–4026} }
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2017 | Journal Article | LibreCat-ID: 44985
@article{Brehm_Kafka_Bamler_Kühne_Schüürmann_Sikk_Burk_Burk_Tamm_Tämm_et al._2017, title={An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.}, volume={947}, DOI={10.1007/978-3-319-47754-1_9}, journal={Adv. Exp. Med. Biol.}, author={Brehm, Martin and Kafka, A. and Bamler, M. and Kühne, R. and Schüürmann, G. and Sikk, L. and Burk, J. and Burk, P. and Tamm, T. and Tämm, K. and et al.}, year={2017}, pages={257–301} }
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2017 | Journal Article | LibreCat-ID: 45183
@article{Peschel_Brehm_Sebastiani_2017, title={Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)}, volume={9}, DOI={10.3390/polym9090445}, number={9445}, journal={Polymers}, publisher={MDPI AG}, author={Peschel, Christopher and Brehm, Martin and Sebastiani, Daniel}, year={2017} }
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2015 | Journal Article | LibreCat-ID: 44980
@article{Cooper_Wagner_Wondrousch_Sonntag_Sonnabend_Brehm_Schüürmann_Adrian_2015, title={Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling}, volume={49 (10)}, DOI={10.1021/acs.est.5b00303}, journal={Environ. Sci. Technol.}, author={Cooper, M. and Wagner, A. and Wondrousch, D. and Sonntag, F. and Sonnabend, A. and Brehm, Martin and Schüürmann, G. and Adrian, L.}, year={2015}, pages={6018–6028} }
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2015 | Journal Article | LibreCat-ID: 44977
@article{Hollóczki_Macchiagodena_Weber_Thomas_Brehm_Stark_Russina_Triolo_Kirchner_2015, title={Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures}, volume={16 (15)}, DOI={10.1002/cphc.201500473}, journal={ChemPhysChem}, author={Hollóczki, O. and Macchiagodena, M. and Weber, H. and Thomas, M. and Brehm, Martin and Stark, A. and Russina, O. and Triolo, A. and Kirchner, B.}, year={2015}, pages={3325–3333} }
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2015 | Journal Article | LibreCat-ID: 44978
@article{Brehm_Weber_Thomas_Hollóczki_Kirchner_2015, title={Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids}, volume={16 (15)}, DOI={10.1002/cphc.201500471}, journal={ChemPhysChem}, author={Brehm, Martin and Weber, H. and Thomas, M. and Hollóczki, O. and Kirchner, B.}, year={2015}, pages={3271–3277} }
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2015 | Journal Article | LibreCat-ID: 44979
@article{Thomas_Brehm_Kirchner_2015, title={Voronoi Dipole Moments for the Simulation of Bulk Phase Vibrational Spectra}, volume={17}, DOI={10.1039/C4CP05272B}, journal={Phys. Chem. Chem. Phys.}, author={Thomas, M. and Brehm, Martin and Kirchner, B.}, year={2015}, pages={3207–3213} }
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2014 | Journal Article | LibreCat-ID: 44976
@article{Stark_Brehm_Brüssel_Lehmann_Pensado_Schöppke_Kirchner_2014, title={A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures}, volume={351}, DOI={10.1007/128_2013_485}, journal={Top. Curr. Chem.}, author={Stark, A. and Brehm, Martin and Brüssel, M. and Lehmann, S. B. C. and Pensado, A. S. and Schöppke, M. and Kirchner, B.}, year={2014}, pages={149–187} }
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