Publication List of Martin Brehm

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

My current h-index is 19.

Total citations: 1475.

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 —

36	M. 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 )
35	M. 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. (DOI 10.1021/acs.jpcb.8b12082 )

— 2018 —

34	M. 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 )
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, 20, 29591–29600. (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. (5 citations, 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. (15 citations, 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. (4 citations, 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. (1 citations, 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. (3 citations, 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. (5 citations, 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. (2 citations, 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. (35 citations, 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. (35 citations, 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. (34 citations, 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. (35 citations, 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. (11 citations, 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. (39 citations, 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. (17 citations, 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. (37 citations, 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. (34 citations, 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. (14 citations, 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. (165 citations, 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. (24 citations, 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. (72 citations, 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. (7 citations, 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. (60 citations, 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. (41 citations, 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. (99 citations, 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. (61 citations, 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. (72 citations, 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. (2 citations, 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. (52 citations, 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. (83 citations, 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. (324 citations, DOI 10.1021/ci200217w )

— 2009 —

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. (86 citations, DOI 10.1021/jp908110j )

Co-Author Statistics

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

Joint Articles		Author 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:

Articles		Journal
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.