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Publication List of Martin Brehm

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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 —

34M. 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 )
33U. 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 )
32S. 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 )
31M. 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 )
30S. 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 —

29M. 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 )
28C. 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 )
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.     (cited 2 times, doi: 10.1021/acs.jpcb.7b06520 )
26M. 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 )
25C. 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 —

24M. 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 )
23M. 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 )
22M. 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 )
21O. 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 —

20A. 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 )
19M. 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 )
18R. 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 )
17S. 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 )
16M. 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 —

15F. 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 )
14M. 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 )
13M. 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 )
12O. 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 —

11M. 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 )
10M. 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 )
9K. 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 )
8M. 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 )
7A. 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 —

6M. 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 )
5P. 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 )
4M. 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 )
3M. 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 )
2M. 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 —

1J. 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 ArticlesAuthor Name
23B. Kirchner
8O. Hollóczki
8M. Thomas
7A. S. Pensado
6A. Stark
5M. Brüssel
5H. Weber
4D. Sebastiani
4F. Malberg
3J. Thar
3G. Schüürmann
3M. Kohagen
2M. Schöppke
2A. P. Seitsonen
2M. von Domaros
2R. Giernoth
2Y. Lingscheid
2S. B. C. Lehmann
1A. Bröhl
1T. Pasinszki
1L. Nyulászi
1W. Zhao
1Z. Kelemen
1T. Voigt
1P. J. di Dio
1A. Triolo
1M. Macchiagodena
1O. Russina
1R. Valiullin
1R. Fligg
1S. Zahn
1S. Naumov
1P. Vöhringer
1D. S. Firaha
1J. Friedrich
1L. Adrian
1M. Wild
1E. Perlt
1M. Ramzan
1K. Wendler
1L. Delle Site
1J. Kärger
1J. Sangoro
1C. Iacob
1F. Kremer
1R. Cybik
1A. Wagner
1A. Sonnabend
1A. Luzar
1T. Tamm
1P. Burk
1J. Burk
1L. Sikk
1R. Kühne
1M. Bamler
1A. Kafka
1T. Welton
1S. Pokhrel
1R. Clark
1S. Gehrke
1S. Pylaeva
1D. Hinderberger
1A. H. Roos
1S. Henkel
1J. Träger
1U. Cerajewski
1K. Tämm
1L. Mädler
1F. Sonntag
1C. Peschel
1D. Wondrousch
1M. Cooper
1A. Böhme
1C. Rickmeyer
1C. Slawik
1T. Watermann
1G. Saddiq
1R. Rallo
1A. Kahru
1F. Giralt
1A. Fernández
1C. P. Roca
1L. Escorihuela
1P. B. Sorensen
1J. Scott-Fordsmand
1M. Sihtmäe
1V. Aruoja
1F. Müller-Plathe

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