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Publication List of Martin Brehm

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36 peer-reviewed publications, sorted by publication date.  Sort list by citation count.

My current h-index is 20.

Total citations: 1583.

My ORCID is  0000-0002-6861-459X
My ResearcherID is  L-5258-2017
My Mendeley profile name is  martin-brehm2
My Scopus author ID is  38661083600

Want to know with whom I publish most? See my co-author statistics.
See also the list of most frequent journals.


— 2019 —

36M. Brehm, M. Thomas:
"Computing Bulk Phase Resonance Raman Spectra from ab Initio Molecular Dynamics and Real-Time TDDFT"
J. Chem. Theory Comput. 2019, 15 (7), 3901–3905.     (DOI 10.1021/acs.jctc.9b00512 )
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.     (1 citations, DOI 10.1021/acs.jpcb.8b12082 )
Cover ArtOpen Access


— 2018 —

34M. Brehm, M. Thomas:
"An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric Data"
J. Chem. Inf. Model. 2018, 58 (10), 2092–2107.     (1 citations, 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, 20, 29591–29600.     (2 citations, DOI 10.1039/C8CP04912B )
Cover Art
32S. Pylaeva, M. Brehm, D. Sebastiani:
"Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effects"
Sci. Rep. 2018, 8, 13626.     (1 citations, DOI 10.1038/s41598-018-31935-z )
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.     (5 citations, 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.     (20 citations, 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.     (4 citations, 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.     (1 citations, DOI 10.3390/polym9090445 )
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.     (3 citations, 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.     (5 citations, 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.     (2 citations, 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.     (35 citations, 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.     (37 citations, 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.     (40 citations, 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.     (38 citations, DOI 10.1002/cphc.201500473 )
Open Access


— 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.     (12 citations, 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, 24510.     (40 citations, 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.     (17 citations, 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.     (40 citations, 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.     (38 citations, 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.     (16 citations, 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.     (177 citations, DOI 10.1039/C3CP44302G )
Cover Art
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.     (25 citations, 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.     (72 citations, 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.     (7 citations, 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.     (64 citations, 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.     (43 citations, 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.     (101 citations, 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.     (63 citations, 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.     (79 citations, 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.     (2 citations, DOI 10.1021/ct2003385 )
Cover Art
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.     (55 citations, 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.     (88 citations, 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.     (362 citations, 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.     (87 citations, DOI 10.1021/jp908110j )


Co-Author Statistics

I have published articles together with 90 different co-authors:

Joint ArticlesAuthor Name
23(show)Barbara Kirchner
9(show)Martin Thomas
8(show)Oldamur Hollóczki
7(show)Alfonso S. Pensado
6(show)Annegret Stark
5(show)Marc Brüssel
5(show)Daniel Sebastiani
5(show)Henry Weber
4(show)Friedrich Malberg
3(show)Miriam Kohagen
3(show)Gerrit Schüürmann
3(show)Jens Thar
2(show)Ralf Giernoth
2(show)Sebastian B. C. Lehmann
2(show)Yves Lingscheid
2(show)Matthias Schöppke
2(show)Ari P. Seitsonen
2(show)Michael von Domaros
1(show)Lorenz Adrian
1(show)V. Aruoja
1(show)Markus Bamler
1(show)Andreas Bröhl
1(show)J. Burk
1(show)P. Burk
1(show)Alexander Böhme
1(show)Ulrike Cerajewski
1(show)R. Clark
1(show)Myriel Cooper
1(show)R. Cybik
1(show)Luigi Delle Site
1(show)Philipp J. di Dio
1(show)L. Escorihuela
1(show)A. Fernández
1(show)Dzmitry S. Firaha
1(show)R. Fligg
1(show)Joachim Friedrich
1(show)Sascha Gehrke
1(show)Francesc Giralt
1(show)Selgar Henkel
1(show)Dariush Hinderberger
1(show)C. Iacob
1(show)Alexander Kafka
1(show)A. Kahru
1(show)Z. Kelemen
1(show)Friedrich Kremer
1(show)Jörg Kreßler
1(show)Jörg Kärger
1(show)Ralph Kühne
1(show)Alenka Luzar
1(show)M. Macchiagodena
1(show)L. Mädler
1(show)Florian Müller-Plathe
1(show)S. Naumov
1(show)L. Nyulászi
1(show)T. Pasinszki
1(show)Eva Perlt
1(show)Christopher Peschel
1(show)S. Pokhrel
1(show)Martin Pulst
1(show)Svetlana Pylaeva
1(show)Robert Rallo
1(show)M. Ramzan
1(show)C. Rickmeyer
1(show)C. P. Roca
1(show)Andreas H. Roos
1(show)O. Russina
1(show)Ghulam Saddiq
1(show)J. Sangoro
1(show)J. Scott-Fordsmand
1(show)M. Sihtmäe
1(show)L. Sikk
1(show)Christian Slawik
1(show)A. Sonnabend
1(show)F. Sonntag
1(show)P. B. Sorensen
1(show)T. Tamm
1(show)Alessandro Triolo
1(show)Jennica Träger
1(show)K. Tämm
1(show)R. Valiullin
1(show)Thomas Voigt
1(show)Peter Vöhringer
1(show)A. Wagner
1(show)Tobias Watermann
1(show)Tom Welton
1(show)Katharina Wendler
1(show)M. Wild
1(show)Dominik Wondrousch
1(show)Stefan Zahn
1(show)W. Zhao


Most Frequent Journals

I have published articles in 16 different journals:

ArticlesJournal
7(show)Phys. Chem. Chem. Phys.
6(show)J. Phys. Chem. B
3(show)ChemPhysChem
3(show)J. Chem. Phys.
3(show)J. Chem. Theory Comput.
2(show)Environ. Sci. Technol.
2(show)J. Chem. Inf. Model.
2(show)J. Mol. Liq.
1(show)Adv. Exp. Med. Biol.
1(show)Chem. Eur. J
1(show)Faraday Discuss.
1(show)J. Phys. Chem. Lett.
1(show)Polymers
1(show)Sci. Rep.
1(show)Top. Curr. Chem.
1(show)Z. Phys. Chem.

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