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22 Publications
2021 | Journal Article | LibreCat-ID: 33644
Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., & Elgabarty, H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical Chemistry A, 125(3), 867–874. https://doi.org/10.1021/acs.jpca.0c11296
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2021 | Conference Paper | LibreCat-ID: 33654
Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan, N., Loche, P., Kampfrath, T., & Sajadi, M. (2021). Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields. In M. Razeghi & A. N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII. SPIE. https://doi.org/10.1117/12.2594143
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2020 | Journal Article | LibreCat-ID: 34302
Elgabarty, H., Kampfrath, T., Bonthuis, D. J., Balos, V., Kaliannan, N. K., Loche, P., Netz, R. R., Wolf, M., Kühne, T., & Sajadi, M. (2020). Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances, 6(17). https://doi.org/10.1126/sciadv.aay7074
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2020 | Journal Article | LibreCat-ID: 34301
Elgabarty, H., & Kühne, T. (2020). Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences. Physical Chemistry Chemical Physics, 22(19), 10397–10411. https://doi.org/10.1039/c9cp06960g
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2019 | Journal Article | LibreCat-ID: 34303
Elgabarty, H., Kaliannan, N. K., & Kühne, T. (2019). Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse. Scientific Reports, 9(1), Article 10002. https://doi.org/10.1038/s41598-019-46449-5
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2017 | Journal Article | LibreCat-ID: 34304
Scarbath-Evers, L. K., Jähnigen, S., Elgabarty, H., Song, C., Narikawa, R., Matysik, J., & Sebastiani, D. (2017). Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy. Physical Chemistry Chemical Physics, 19(21), 13882–13894. https://doi.org/10.1039/c7cp01218g
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2017 | Journal Article | LibreCat-ID: 34306
Pulst, M., Elgabarty, H., Sebastiani, D., & Kressler, J. (2017). The annular tautomerism of lithium 1,2,3-triazolate. New Journal of Chemistry, 41(4), 1430–1435. https://doi.org/10.1039/c6nj03732a
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2017 | Journal Article | LibreCat-ID: 34305
Pylaeva, S., Ivanov, K. L., Baldus, M., Sebastiani, D., & Elgabarty, H. (2017). Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids. The Journal of Physical Chemistry Letters, 8(10), 2137–2142. https://doi.org/10.1021/acs.jpclett.7b00561
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2015 | Journal Article | LibreCat-ID: 34307
Spura, T., Elgabarty, H., & Kühne, T. (2015). “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Physical Chemistry Chemical Physics, 17(22), 14355–14359. https://doi.org/10.1039/c4cp05192k
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2015 | Journal Article | LibreCat-ID: 34309
Kessler, J., Elgabarty, H., Spura, T., Karhan, K., Partovi-Azar, P., Hassanali, A. A., & Kühne, T. (2015). Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 119(31), 10079–10086. https://doi.org/10.1021/acs.jpcb.5b04185
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2015 | Journal Article | LibreCat-ID: 34308
Kühne, T., Partovi-Azar, P., & Elgabarty, H. (2015). Ab-initio-Moleküldynamik. Nachrichten aus der Chemie, 63(3), 327–335. https://doi.org/10.1002/nadc.201590095
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2015 | Journal Article | LibreCat-ID: 34310
Elgabarty, H., Khaliullin, R. Z., & Kühne, T. D. (2015). Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments. Nature Communications, 6(1), Article 8318. https://doi.org/10.1038/ncomms9318
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2014 | Journal Article | LibreCat-ID: 34311
Watermann, T., Elgabarty, H., & Sebastiani, D. (2014). Phycocyanobilin in solution – a solvent triggered molecular switch. Phys. Chem. Chem. Phys., 16(13), 6146–6152. https://doi.org/10.1039/c3cp54307b
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2013 | Journal Article | LibreCat-ID: 34312
Elgabarty, H., Wolff, M., Glaubitz, A., Hinderberger, D., & Sebastiani, D. (2013). First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy. Physical Chemistry Chemical Physics, 15(38), Article 16082. https://doi.org/10.1039/c3cp51938d
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2012 | Journal Article | LibreCat-ID: 34313
Elgabarty, H., Schmieder, P., & Sebastiani, D. (2012). Unraveling the existence of dynamic water channels in light-harvesting proteins: alpha-C-phycocyanobilin in vitro. Chem. Sci., 4(2), 755–763. https://doi.org/10.1039/c2sc21145a
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2010 | Journal Article | LibreCat-ID: 34314
Heller, J., Elgabarty, H., Zhuang, B., Sebastiani, D., & Hinderberger, D. (2010). Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 114(22), 7429–7438. https://doi.org/10.1021/jp910335t
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2010 | Journal Article | LibreCat-ID: 34315
Gad, M. Z., Hassanein, S. I., Abdel-Maksoud, S. M., Shaban, G. M., Abou-Aisha, K., & Elgabarty, H. (2010). Assessment of serum levels of asymmetric dimethylarginine, symmetric dimethylarginine and<scp>l</scp>-arginine in coronary artery disease. Biomarkers, 15(8), 746–752. https://doi.org/10.3109/1354750x.2010.519784
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