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144 Publications


2015 | Journal Article | LibreCat-ID: 34310
@article{Elgabarty_Khaliullin_Kühne_2015, title={Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments}, volume={6}, DOI={10.1038/ncomms9318}, number={18318}, journal={Nature Communications}, publisher={Springer Science and Business Media LLC}, author={Elgabarty, Hossam and Khaliullin, Rustam Z. and Kühne, Thomas D.}, year={2015} }
LibreCat | DOI
 

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} }
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 44975
@article{Thomas_Brehm_Hollóczki_Kelemen_Nyulászi_Pasinszki_Kirchner_2014, title={Simulating the Vibrational Spectra of Ionic Liquid Systems: 1-Ethyl-3-Methylimidazolium Acetate and its Mixtures}, volume={141}, DOI={10.1063/1.4887082}, journal={J. Chem. Phys.}, author={Thomas, M. and Brehm, Martin and Hollóczki, O. and Kelemen, Z. and Nyulászi, L. and Pasinszki, T. and Kirchner, B.}, year={2014}, pages={024510} }
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 44974
@article{Giernoth_Bröhl_Brehm_Lingscheid_2014, title={Interactions in Ionic Liquids probed by in situ NMR Spectroscopy}, volume={192}, DOI={10.1016/j.molliq.2013.07.010}, journal={J. Mol. Liq.}, author={Giernoth, R. and Bröhl, A. and Brehm, Martin and Lingscheid, Y.}, year={2014}, pages={55–58} }
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 44973
@article{Zahn_Brehm_Brüssel_Hollóczki_Kohagen_Lehmann_Malberg_Pensado_Schöppke_Weber_et al._2014, title={Understanding Ionic Liquids from Theoretical Methods}, volume={192}, DOI={10.1016/j.molliq.2013.08.015}, journal={J. Mol. Liq.}, author={Zahn, S. and Brehm, Martin and Brüssel, M. and Hollóczki, O. and Kohagen, M. and Lehmann, S. B. C. and Malberg, F. and Pensado, A. S. and Schöppke, M. and Weber, H. and et al.}, year={2014}, pages={71–76} }
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 44972
@article{Thomas_Brehm_Hollóczki_Kirchner_2014, title={How Can a Carbene be Active in an Ionic Liquid?}, volume={20 (6)}, DOI={10.1002/chem.201303329}, journal={Chem. Eur. J}, author={Thomas, M. and Brehm, Martin and Hollóczki, O. and Kirchner, B.}, year={2014}, pages={1622–1629} }
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 45767
@article{Calcavecchia_Pederiva_Kalos_Kühne_2014, title={Sign problem of the fermionic shadow wave function}, volume={90}, number={053304}, journal={Phys. Rev. E}, author={Calcavecchia, Francesco and Pederiva, Francesco and Kalos, Malvin H. and Kühne, Thomas D.}, year={2014} }
LibreCat
 

2014 | Journal Article | LibreCat-ID: 45768
@article{Richters_2014, title={Self-consistent field theory based molecular dynamics with linear system-size scaling}, volume={140}, number={34109}, journal={J. Chem. Phys.}, author={Richters, Dorothee }, year={2014} }
LibreCat
 

2013 | Journal Article | LibreCat-ID: 44969
@article{Brehm_Weber_Pensado_Stark_Kirchner_2013, title={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}, volume={227}, DOI={10.1524/zpch.2012.0327}, journal={Z. Phys. Chem.}, author={Brehm, Martin and Weber, H. and Pensado, A. S. and Stark, A. and Kirchner, B.}, year={2013}, pages={177–203} }
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44971
@article{Malberg_Brehm_Hollóczki_Pensado_Kirchner_2013, title={Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-Methylimidazolium Ethylsulfate}, volume={15}, DOI={10.1039/C3CP52966E}, journal={Phys. Chem. Chem. Phys.}, author={Malberg, F. and Brehm, Martin and Hollóczki, O. and Pensado, A. S. and Kirchner, B.}, year={2013}, pages={18424–18436} }
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