Publication List of Martin Brehm
34 peer-reviewed publications, sorted by publication date.
My current h-index is 19.
My ORCID is 0000-0002-6861-459X
My ResearcherID is L-5258-2017
Want to know with whom I publish most? See my co-author statistics.
— 2018 —
| 34 | M. Brehm, M. Thomas: "An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric Data" J. Chem. Inf. Model. 2018, in press. (doi: 10.1021/acs.jcim.8b00501 ) |
| 33 | U. Cerajewski, J. Träger, S. Henkel, A. H. Roos, M. Brehm, D. Hinderberger: "Nanoscopic Structures and Molecular Interactions Leading to a Dystectic and two Eutectic Points in [EMIm][Cl]/Urea Mixtures" Phys. Chem. Chem. Phys. 2018, in press. (doi: 10.1039/C8CP04912B ) |
| 32 | S. Pylaeva, M. Brehm, D. Sebastiani: "Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effects" Sci. Rep. 2018, 8, 13626. (doi: 10.1038/s41598-018-31935-z ) |
| 31 | M. Brehm, D. Sebastiani: "Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate" J. Chem. Phys. 2018, 148, 193802. (cited 1 times, doi: 10.1063/1.5010342 ) |
| 30 | S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner: "Structure and Lifetimes in Ionic Liquids and their Mixtures" Faraday Discuss. 2018, 206, 219–245. (cited 8 times, doi: 10.1039/C7FD00166E ) |
— 2017 —
| 29 | M. Brehm, A. Kafka, M. Bamler, R. Kühne, G. Schüürmann, L. Sikk, J. Burk, P. Burk, T. Tamm, K. Tämm, S. Pokhrel, L. Mädler, A. Kahru, V. Aruoja, M. Sihtmäe, J. Scott-Fordsmand, P. B. Sorensen, L. Escorihuela, C. P. Roca, A. Fernández, F. Giralt, R. Rallo: "An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project." Adv. Exp. Med. Biol. 2017, 947, 257–301. (cited 4 times, doi: 10.1007/978-3-319-47754-1_9 ) |
| 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. (cited 1 times, doi: 10.3390/polym9090445 ) |
| 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. (cited 2 times, doi: 10.1021/acs.jpcb.7b06520 ) |
| 26 | M. Brehm, M. Thomas: "Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics Simulations" J. Phys. Chem. Lett. 2017, 8 (14), 3409–3414. (cited 2 times, doi: 10.1021/acs.jpclett.7b01616 ) |
| 25 | C. Slawik, C. Rickmeyer, M. Brehm, A. Böhme, G. Schüürmann: "Glutathione Adduct Patterns of Michael-Acceptor Carbonyls" Environ. Sci. Technol. 2017, 51 (7), 4018–4026. (cited 2 times, doi: 10.1021/acs.est.6b04981 ) |
— 2015 —
| 24 | M. Cooper, A. Wagner, D. Wondrousch, F. Sonntag, A. Sonnabend, M. Brehm, G. Schüürmann, L. Adrian: "Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling" Environ. Sci. Technol. 2015, 49 (10), 6018–6028. (cited 30 times, doi: 10.1021/acs.est.5b00303 ) |
| 23 | M. Thomas, M. Brehm, B. Kirchner: "Voronoi Dipole Moments for the Simulation of Bulk Phase Vibrational Spectra" Phys. Chem. Chem. Phys. 2015, 17, 3207–3213. (cited 26 times, doi: 10.1039/C4CP05272B ) |
| 22 | M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner: "Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids" ChemPhysChem 2015, 16 (15), 3271–3277. (cited 28 times, doi: 10.1002/cphc.201500471 ) |
| 21 | O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner: "Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-fluorinated Aprotic Ionic-Liquid Mixtures" ChemPhysChem 2015, 16 (15), 3325–3333. (cited 26 times, doi: 10.1002/cphc.201500473 ) |
— 2014 —
| 20 | A. Stark, M. Brehm, M. Brüssel, S. B. C. Lehmann, A. S. Pensado, M. Schöppke, B. Kirchner: "A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures" Top. Curr. Chem. 2014, 351, 149–187. (cited 8 times, doi: 10.1007/128_2013_485 ) |
| 19 | M. Thomas, M. Brehm, O. Hollóczki, Z. Kelemen, L. Nyulászi, T. Pasinszki, B. Kirchner: "Simulating the Vibrational Spectra of Ionic Liquid Systems: 1-Ethyl-3-methylimidazolium Acetate and its Mixtures" J. Chem. Phys. 2014, 141, 024510. (cited 33 times, doi: 10.1063/1.4887082 ) |
| 18 | R. Giernoth, A. Bröhl, M. Brehm, Y. Lingscheid: "Interactions in Ionic Liquids probed by in situ NMR Spectroscopy" J. Mol. Liq. 2014, 192, 55–58. (cited 11 times, doi: 10.1016/j.molliq.2013.07.010 ) |
| 17 | S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. B. C. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner: "Understanding Ionic Liquids from Theoretical Methods" J. Mol. Liq. 2014, 192, 71–76. (cited 31 times, doi: 10.1016/j.molliq.2013.08.015 ) |
| 16 | M. Thomas, M. Brehm, O. Hollóczki, B. Kirchner: "How Can a Carbene be Active in an Ionic Liquid?" Chem. Eur. J 2014, 20 (6), 1622–1629. (cited 31 times, doi: 10.1002/chem.201303329 ) |
— 2013 —
| 15 | F. Malberg, M. Brehm, O. Hollóczki, A. S. Pensado, B. Kirchner: "Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-methylimidazolium Ethylsulfate" Phys. Chem. Chem. Phys. 2013, 15, 18424–18436. (cited 12 times, doi: 10.1039/C3CP52966E ) |
| 14 | M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner: "Computing Vibrational Spectra from ab initio Molecular Dynamics" Phys. Chem. Chem. Phys. 2013, 15, 6608–6622. (cited 133 times, doi: 10.1039/C3CP44302G ) |
| 13 | M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner: "Liquid Structure and Cluster Formation in Ionic Liquid/Water Mixtures – An Extensive ab initio Molecular Dynamics Study on 1-Ethyl-3-Methylimidazolium Acetate/Water Mixtures – Part 2" Z. Phys. Chem. 2013, 227, 177–203. (cited 20 times, doi: 10.1524/zpch.2012.0327 ) |
| 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. (cited 65 times, doi: 10.1021/jp4004399 ) |
— 2012 —
| 11 | M. Brüssel, E. Perlt, M. von Domaros, M. Brehm, B. Kirchner: "A One-Parameter Quantum Cluster Equilibrium Approach" J. Chem. Phys. 2012, 137, 164107. (cited 4 times, doi: 10.1063/1.4759154 ) |
| 10 | M. Brüssel, M. Brehm, A. S. Pensado, F. Malberg, M. Ramzan, A. Stark, B. Kirchner: "On the Ideality of Binary Mixtures of Ionic Liquids" Phys. Chem. Chem. Phys. 2012, 14, 13204–13215. (cited 55 times, doi: 10.1039/C2CP41926B ) |
| 9 | K. Wendler, M. Brehm, F. Malberg, B. Kirchner, L. Delle Site: "Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra" J. Chem. Theory Comput. 2012, 8 (5), 1570–1579. (cited 38 times, doi: 10.1021/ct300152t ) |
| 8 | M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner: "Proton Transfer and Polarity Changes in Ionic Liquid–Water Mixtures: A Perspective on Hydrogen Bonds from ab initio Molecular Dynamics at the Example of 1-Ethyl-3-methylimidazolium Acetate–Water Mixtures—Part 1" Phys. Chem. Chem. Phys. 2012, 14, 5030–5044. (cited 91 times, doi: 10.1039/C2CP23983C ) |
| 7 | A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner: "Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate" ChemPhysChem 2012, 13 (7), 1845–1853. (cited 53 times, doi: 10.1002/cphc.201100917 ) |
— 2011 —
| 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. (cited 63 times, doi: 10.1021/jp206974h ) |
| 5 | P. J. di Dio, M. Brehm, B. Kirchner: "Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs)" J. Chem. Theory Comput. 2011, 7 (10), 3035–3039. (cited 2 times, doi: 10.1021/ct2003385 ) |
| 4 | M. Brüssel, M. Brehm, T. Voigt, B. Kirchner: "Ab initio Molecular Dynamics Simulations of a Binary System of Ionic Liquids" Phys. Chem. Chem. Phys. 2011, 13, 13617–13620. (cited 47 times, doi: 10.1039/C1CP21550G ) |
| 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. (cited 71 times, doi: 10.1021/jp109612k ) |
| 2 | M. Brehm, B. Kirchner: "TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories" J. Chem. Inf. Model. 2011, 51 (8), 2007–2023. (cited 236 times, doi: 10.1021/ci200217w ) |
— 2009 —
| 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. (cited 84 times, doi: 10.1021/jp908110j ) |
Co-Author Statistics
I have published articles together with 88 different co-authors:
| Joint Articles | Author Name |
|---|---|
| 23 | B. Kirchner |
| 8 | O. Hollóczki |
| 8 | M. Thomas |
| 7 | A. S. Pensado |
| 6 | A. Stark |
| 5 | M. Brüssel |
| 5 | H. Weber |
| 4 | D. Sebastiani |
| 4 | F. Malberg |
| 3 | J. Thar |
| 3 | G. Schüürmann |
| 3 | M. Kohagen |
| 2 | M. Schöppke |
| 2 | A. P. Seitsonen |
| 2 | M. von Domaros |
| 2 | R. Giernoth |
| 2 | Y. Lingscheid |
| 2 | S. B. C. Lehmann |
| 1 | A. Bröhl |
| 1 | T. Pasinszki |
| 1 | L. Nyulászi |
| 1 | W. Zhao |
| 1 | Z. Kelemen |
| 1 | T. Voigt |
| 1 | P. J. di Dio |
| 1 | A. Triolo |
| 1 | M. Macchiagodena |
| 1 | O. Russina |
| 1 | R. Valiullin |
| 1 | R. Fligg |
| 1 | S. Zahn |
| 1 | S. Naumov |
| 1 | P. Vöhringer |
| 1 | D. S. Firaha |
| 1 | J. Friedrich |
| 1 | L. Adrian |
| 1 | M. Wild |
| 1 | E. Perlt |
| 1 | M. Ramzan |
| 1 | K. Wendler |
| 1 | L. Delle Site |
| 1 | J. Kärger |
| 1 | J. Sangoro |
| 1 | C. Iacob |
| 1 | F. Kremer |
| 1 | R. Cybik |
| 1 | A. Wagner |
| 1 | A. Sonnabend |
| 1 | A. Luzar |
| 1 | T. Tamm |
| 1 | P. Burk |
| 1 | J. Burk |
| 1 | L. Sikk |
| 1 | R. Kühne |
| 1 | M. Bamler |
| 1 | A. Kafka |
| 1 | T. Welton |
| 1 | S. Pokhrel |
| 1 | R. Clark |
| 1 | S. Gehrke |
| 1 | S. Pylaeva |
| 1 | D. Hinderberger |
| 1 | A. H. Roos |
| 1 | S. Henkel |
| 1 | J. Träger |
| 1 | U. Cerajewski |
| 1 | K. Tämm |
| 1 | L. Mädler |
| 1 | F. Sonntag |
| 1 | C. Peschel |
| 1 | D. Wondrousch |
| 1 | M. Cooper |
| 1 | A. Böhme |
| 1 | C. Rickmeyer |
| 1 | C. Slawik |
| 1 | T. Watermann |
| 1 | G. Saddiq |
| 1 | R. Rallo |
| 1 | A. Kahru |
| 1 | F. Giralt |
| 1 | A. Fernández |
| 1 | C. P. Roca |
| 1 | L. Escorihuela |
| 1 | P. B. Sorensen |
| 1 | J. Scott-Fordsmand |
| 1 | M. Sihtmäe |
| 1 | V. Aruoja |
| 1 | F. Müller-Plathe |
