Hossam Elgabarty

hossam.elgabarty@uni-paderborn.de
ID
60250

25 Publications

Mark all

[25]
2024 | Journal Article | LibreCat-ID: 56075
@article{Steube_Fritsch_Kruse_Bokareva_Demeshko_Elgabarty_Schoch_Alaraby_Egold_Bracht_et al._2024, title={Isostructural Series of a Cyclometalated Iron Complex in Three Oxidation States}, DOI={10.1021/acs.inorgchem.4c02576}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Steube, Jakob and Fritsch, Lorena and Kruse, Ayla and Bokareva, Olga S. and Demeshko, Serhiy and Elgabarty, Hossam and Schoch, Roland and Alaraby, Mohammad and Egold, Hans and Bracht, Bastian and et al.}, year={2024} }
LibreCat | DOI
 
[24]
2024 | Journal Article | LibreCat-ID: 56074
@article{Nowakowski_Huber‐Gedert_Elgabarty_Kalinko_Kubicki_Kertmen_Lindner_Khakhulin_Lima_Choi_et al._2024, title={Ultrafast Two‐Color X‐Ray Emission Spectroscopy Reveals Excited State Landscape in a Base Metal Dyad}, DOI={10.1002/advs.202404348}, journal={Advanced Science}, publisher={Wiley}, author={Nowakowski, Michał and Huber‐Gedert, Marina and Elgabarty, Hossam and Kalinko, Aleksandr and Kubicki, Jacek and Kertmen, Ahmet and Lindner, Natalia and Khakhulin, Dmitry and Lima, Frederico A. and Choi, Tae‐Kyu and et al.}, year={2024} }
LibreCat | DOI
 
[23]
2024 | Journal Article | LibreCat-ID: 56080 | OA
@article{Kloß_Beerbaum_Baier_Weinberger_Zysk_Elgabarty_Kühne_Tiemann_2024, title={Understanding Hydration in CPO‐27 Metal‐Organic Frameworks: Strong Impact of the Chemical Nature of the Metal (Cu, Zn)}, volume={11}, DOI={10.1002/admi.202400476}, number={35}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Kloß, Marvin and Beerbaum, Michael and Baier, Dominik and Weinberger, Christian and Zysk, Frederik and Elgabarty, Hossam and Kühne, Thomas D. and Tiemann, Michael}, year={2024}, pages={2400476} }
LibreCat | DOI | Download (ext.)
 
[22]
2023 | Journal Article | LibreCat-ID: 45361 | OA
@article{Schade_Kenter_Elgabarty_Lass_Kühne_Plessl_2023, title={Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics}, DOI={10.1177/10943420231177631}, number={109434202311776}, journal={The International Journal of High Performance Computing Applications}, publisher={SAGE Publications}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and Plessl, Christian}, year={2023} }
LibreCat | DOI | Download (ext.)
 
[21]
2023 | Preprint | LibreCat-ID: 40982
@article{Nowakowski_Huber-Gedert_Elgabarty_Kubicki_Kertem_Lindner_Khakhulin_Lima_Choi_Biednov_et al._2023, title={Ultrafast two-colour X-ray emission spectroscopy reveals excited state landscape in a base metal dyad}, journal={arxiv}, author={Nowakowski, Michał and Huber-Gedert, Marina and Elgabarty, Hossam and Kubicki, Jacek and Kertem, Ahmet and Lindner, Natalia and Khakhulin, Dimitry and Lima, Frederico Alves and Choi, Tae-Kyu and Biednov, Mykola and et al.}, year={2023} }
LibreCat
 
[20]
2022 | Journal Article | LibreCat-ID: 34300
@article{Balos_Kaliannan_Elgabarty_Wolf_Kühne_Sajadi_2022, title={Time-resolved terahertz–Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water}, volume={14}, DOI={10.1038/s41557-022-00977-2}, number={9}, journal={Nature Chemistry}, publisher={Springer Science and Business Media LLC}, author={Balos, Vasileios and Kaliannan, Naveen Kumar and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Sajadi, Mohsen}, year={2022}, pages={1031–1037} }
LibreCat | DOI
 
[19]
2022 | Journal Article | LibreCat-ID: 33684 | OA
@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2022, title={Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms}, volume={111}, DOI={10.1016/j.parco.2022.102920}, number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas and et al.}, year={2022} }
LibreCat | DOI | Download (ext.)
 
[18]
2021 | Journal Article | LibreCat-ID: 33653
@article{Gurinov_Sieland_Kuzhelev_Elgabarty_Kühne_Prisner_Paradies_Baldus_Ivanov_Pylaeva_2021, title={Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids}, volume={60}, DOI={10.1002/anie.202103215}, number={28}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Gurinov, Andrei and Sieland, Benedikt and Kuzhelev, Andrey and Elgabarty, Hossam and Kühne, Thomas and Prisner, Thomas and Paradies, Jan and Baldus, Marc and Ivanov, Konstantin L. and Pylaeva, Svetlana}, year={2021}, pages={15371–15375} }
LibreCat | DOI
 
[17]
2021 | Journal Article | LibreCat-ID: 33644
@article{Pylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title={Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}, volume={125}, DOI={10.1021/acs.jpca.0c11296}, number={3}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Pylaeva, Svetlana and Marx, Patrick and Singh, Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}, year={2021}, pages={867–874} }
LibreCat | DOI
 
[16]
2021 | Conference Paper | LibreCat-ID: 33654
@inproceedings{Balos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021, title={Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields}, DOI={10.1117/12.2594143}, booktitle={Terahertz Emitters, Receivers, and Applications XII}, publisher={SPIE}, author={Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip and Kampfrath, Tobias and Sajadi, Mohsen}, editor={Razeghi, Manijeh and Baranov, Alexei N.}, year={2021} }
LibreCat | DOI
 
[15]
2020 | Journal Article | LibreCat-ID: 34302
@article{Elgabarty_Kampfrath_Bonthuis_Balos_Kaliannan_Loche_Netz_Wolf_Kühne_Sajadi_2020, title={Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation}, volume={6}, DOI={10.1126/sciadv.aay7074}, number={17}, journal={Science Advances}, publisher={American Association for the Advancement of Science (AAAS)}, author={Elgabarty, Hossam and Kampfrath, Tobias and Bonthuis, Douwe Jan and Balos, Vasileios and Kaliannan, Naveen Kumar and Loche, Philip and Netz, Roland R. and Wolf, Martin and Kühne, Thomas and Sajadi, Mohsen}, year={2020} }
LibreCat | DOI
 
[14]
2020 | Journal Article | LibreCat-ID: 34301
@article{Elgabarty_Kühne_2020, title={Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences}, volume={22}, DOI={10.1039/c9cp06960g}, number={19}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Elgabarty, Hossam and Kühne, Thomas}, year={2020}, pages={10397–10411} }
LibreCat | DOI
 
[13]
2019 | Journal Article | LibreCat-ID: 34303
@article{Elgabarty_Kaliannan_Kühne_2019, title={Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse}, volume={9}, DOI={10.1038/s41598-019-46449-5}, number={110002}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Elgabarty, Hossam and Kaliannan, Naveen Kaliannan and Kühne, Thomas}, year={2019} }
LibreCat | DOI
 
[12]
2017 | Journal Article | LibreCat-ID: 34304
@article{Scarbath-Evers_Jähnigen_Elgabarty_Song_Narikawa_Matysik_Sebastiani_2017, title={Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy}, volume={19}, DOI={10.1039/c7cp01218g}, number={21}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Scarbath-Evers, Laura Katharina and Jähnigen, Sascha and Elgabarty, Hossam and Song, Chen and Narikawa, Rei and Matysik, Jörg and Sebastiani, Daniel}, year={2017}, pages={13882–13894} }
LibreCat | DOI
 
[11]
2017 | Journal Article | LibreCat-ID: 34306
@article{Pulst_Elgabarty_Sebastiani_Kressler_2017, title={The annular tautomerism of lithium 1,2,3-triazolate}, volume={41}, DOI={10.1039/c6nj03732a}, number={4}, journal={New Journal of Chemistry}, publisher={Royal Society of Chemistry (RSC)}, author={Pulst, Martin and Elgabarty, Hossam and Sebastiani, Daniel and Kressler, Jörg}, year={2017}, pages={1430–1435} }
LibreCat | DOI
 
[10]
2017 | Journal Article | LibreCat-ID: 34305
@article{Pylaeva_Ivanov_Baldus_Sebastiani_Elgabarty_2017, title={Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids}, volume={8}, DOI={10.1021/acs.jpclett.7b00561}, number={10}, journal={The Journal of Physical Chemistry Letters}, publisher={American Chemical Society (ACS)}, author={Pylaeva, Svetlana and Ivanov, Konstantin L. and Baldus, Marc and Sebastiani, Daniel and Elgabarty, Hossam}, year={2017}, pages={2137–2142} }
LibreCat | DOI
 
[9]
2015 | Journal Article | LibreCat-ID: 34307
@article{Spura_Elgabarty_Kühne_2015, title={“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer}, volume={17}, DOI={10.1039/c4cp05192k}, number={22}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Spura, Thomas and Elgabarty, Hossam and Kühne, Thomas}, year={2015}, pages={14355–14359} }
LibreCat | DOI
 
[8]
2015 | Journal Article | LibreCat-ID: 34309
@article{Kessler_Elgabarty_Spura_Karhan_Partovi-Azar_Hassanali_Kühne_2015, title={Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations}, volume={119}, DOI={10.1021/acs.jpcb.5b04185}, number={31}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas}, year={2015}, pages={10079–10086} }
LibreCat | DOI
 
[7]
2015 | Journal Article | LibreCat-ID: 34308
@article{Kühne_Partovi-Azar_Elgabarty_2015, title={Ab-initio-Moleküldynamik}, volume={63}, DOI={10.1002/nadc.201590095}, number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Kühne, Thomas and Partovi-Azar, P. and Elgabarty, Hossam}, year={2015}, pages={327–335} }
LibreCat | DOI
 
[6]
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
 
[5]
2014 | Journal Article | LibreCat-ID: 34311
@article{Watermann_Elgabarty_Sebastiani_2014, title={Phycocyanobilin in solution – a solvent triggered molecular switch}, volume={16}, DOI={10.1039/c3cp54307b}, number={13}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Watermann, Tobias and Elgabarty, Hossam and Sebastiani, Daniel}, year={2014}, pages={6146–6152} }
LibreCat | DOI
 
[4]
2013 | Journal Article | LibreCat-ID: 34312
@article{Elgabarty_Wolff_Glaubitz_Hinderberger_Sebastiani_2013, title={First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy}, volume={15}, DOI={10.1039/c3cp51938d}, number={3816082}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Elgabarty, Hossam and Wolff, Milian and Glaubitz, Adrian and Hinderberger, Dariush and Sebastiani, Daniel}, year={2013} }
LibreCat | DOI
 
[3]
2012 | Journal Article | LibreCat-ID: 34313
@article{Elgabarty_Schmieder_Sebastiani_2012, title={Unraveling the existence of dynamic water channels in light-harvesting proteins: alpha-C-phycocyanobilin in vitro}, volume={4}, DOI={10.1039/c2sc21145a}, number={2}, journal={Chem. Sci.}, publisher={Royal Society of Chemistry (RSC)}, author={Elgabarty, Hossam and Schmieder, Peter and Sebastiani, Daniel}, year={2012}, pages={755–763} }
LibreCat | DOI
 
[2]
2010 | Journal Article | LibreCat-ID: 34314
@article{Heller_Elgabarty_Zhuang_Sebastiani_Hinderberger_2010, title={Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations}, volume={114}, DOI={10.1021/jp910335t}, number={22}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Heller, Jeannine and Elgabarty, Hossam and Zhuang, Bilin and Sebastiani, Daniel and Hinderberger, Dariush}, year={2010}, pages={7429–7438} }
LibreCat | DOI
 
[1]
2010 | Journal Article | LibreCat-ID: 34315
@article{Gad_Hassanein_Abdel-Maksoud_Shaban_Abou-Aisha_Elgabarty_2010, title={Assessment of serum levels of asymmetric dimethylarginine, symmetric dimethylarginine and<scp>l</scp>-arginine in coronary artery disease}, volume={15}, DOI={10.3109/1354750x.2010.519784}, number={8}, journal={Biomarkers}, publisher={Informa UK Limited}, author={Gad, Mohamed Z. and Hassanein, Sally I. and Abdel-Maksoud, Sahar M. and Shaban, Gamal M. and Abou-Aisha, Khaled and Elgabarty, Hossam}, year={2010}, pages={746–752} }
LibreCat | DOI
 
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25 Publications

Mark all

[25]
2024 | Journal Article | LibreCat-ID: 56075
@article{Steube_Fritsch_Kruse_Bokareva_Demeshko_Elgabarty_Schoch_Alaraby_Egold_Bracht_et al._2024, title={Isostructural Series of a Cyclometalated Iron Complex in Three Oxidation States}, DOI={10.1021/acs.inorgchem.4c02576}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Steube, Jakob and Fritsch, Lorena and Kruse, Ayla and Bokareva, Olga S. and Demeshko, Serhiy and Elgabarty, Hossam and Schoch, Roland and Alaraby, Mohammad and Egold, Hans and Bracht, Bastian and et al.}, year={2024} }
LibreCat | DOI
 
[24]
2024 | Journal Article | LibreCat-ID: 56074
@article{Nowakowski_Huber‐Gedert_Elgabarty_Kalinko_Kubicki_Kertmen_Lindner_Khakhulin_Lima_Choi_et al._2024, title={Ultrafast Two‐Color X‐Ray Emission Spectroscopy Reveals Excited State Landscape in a Base Metal Dyad}, DOI={10.1002/advs.202404348}, journal={Advanced Science}, publisher={Wiley}, author={Nowakowski, Michał and Huber‐Gedert, Marina and Elgabarty, Hossam and Kalinko, Aleksandr and Kubicki, Jacek and Kertmen, Ahmet and Lindner, Natalia and Khakhulin, Dmitry and Lima, Frederico A. and Choi, Tae‐Kyu and et al.}, year={2024} }
LibreCat | DOI
 
[23]
2024 | Journal Article | LibreCat-ID: 56080 | OA
@article{Kloß_Beerbaum_Baier_Weinberger_Zysk_Elgabarty_Kühne_Tiemann_2024, title={Understanding Hydration in CPO‐27 Metal‐Organic Frameworks: Strong Impact of the Chemical Nature of the Metal (Cu, Zn)}, volume={11}, DOI={10.1002/admi.202400476}, number={35}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Kloß, Marvin and Beerbaum, Michael and Baier, Dominik and Weinberger, Christian and Zysk, Frederik and Elgabarty, Hossam and Kühne, Thomas D. and Tiemann, Michael}, year={2024}, pages={2400476} }
LibreCat | DOI | Download (ext.)
 
[22]
2023 | Journal Article | LibreCat-ID: 45361 | OA
@article{Schade_Kenter_Elgabarty_Lass_Kühne_Plessl_2023, title={Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics}, DOI={10.1177/10943420231177631}, number={109434202311776}, journal={The International Journal of High Performance Computing Applications}, publisher={SAGE Publications}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and Plessl, Christian}, year={2023} }
LibreCat | DOI | Download (ext.)
 
[21]
2023 | Preprint | LibreCat-ID: 40982
@article{Nowakowski_Huber-Gedert_Elgabarty_Kubicki_Kertem_Lindner_Khakhulin_Lima_Choi_Biednov_et al._2023, title={Ultrafast two-colour X-ray emission spectroscopy reveals excited state landscape in a base metal dyad}, journal={arxiv}, author={Nowakowski, Michał and Huber-Gedert, Marina and Elgabarty, Hossam and Kubicki, Jacek and Kertem, Ahmet and Lindner, Natalia and Khakhulin, Dimitry and Lima, Frederico Alves and Choi, Tae-Kyu and Biednov, Mykola and et al.}, year={2023} }
LibreCat
 
[20]
2022 | Journal Article | LibreCat-ID: 34300
@article{Balos_Kaliannan_Elgabarty_Wolf_Kühne_Sajadi_2022, title={Time-resolved terahertz–Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water}, volume={14}, DOI={10.1038/s41557-022-00977-2}, number={9}, journal={Nature Chemistry}, publisher={Springer Science and Business Media LLC}, author={Balos, Vasileios and Kaliannan, Naveen Kumar and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Sajadi, Mohsen}, year={2022}, pages={1031–1037} }
LibreCat | DOI
 
[19]
2022 | Journal Article | LibreCat-ID: 33684 | OA
@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2022, title={Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms}, volume={111}, DOI={10.1016/j.parco.2022.102920}, number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas and et al.}, year={2022} }
LibreCat | DOI | Download (ext.)
 
[18]
2021 | Journal Article | LibreCat-ID: 33653
@article{Gurinov_Sieland_Kuzhelev_Elgabarty_Kühne_Prisner_Paradies_Baldus_Ivanov_Pylaeva_2021, title={Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids}, volume={60}, DOI={10.1002/anie.202103215}, number={28}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Gurinov, Andrei and Sieland, Benedikt and Kuzhelev, Andrey and Elgabarty, Hossam and Kühne, Thomas and Prisner, Thomas and Paradies, Jan and Baldus, Marc and Ivanov, Konstantin L. and Pylaeva, Svetlana}, year={2021}, pages={15371–15375} }
LibreCat | DOI
 
[17]
2021 | Journal Article | LibreCat-ID: 33644
@article{Pylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title={Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}, volume={125}, DOI={10.1021/acs.jpca.0c11296}, number={3}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Pylaeva, Svetlana and Marx, Patrick and Singh, Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}, year={2021}, pages={867–874} }
LibreCat | DOI
 
[16]
2021 | Conference Paper | LibreCat-ID: 33654
@inproceedings{Balos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021, title={Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields}, DOI={10.1117/12.2594143}, booktitle={Terahertz Emitters, Receivers, and Applications XII}, publisher={SPIE}, author={Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip and Kampfrath, Tobias and Sajadi, Mohsen}, editor={Razeghi, Manijeh and Baranov, Alexei N.}, year={2021} }
LibreCat | DOI
 
[15]
2020 | Journal Article | LibreCat-ID: 34302
@article{Elgabarty_Kampfrath_Bonthuis_Balos_Kaliannan_Loche_Netz_Wolf_Kühne_Sajadi_2020, title={Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation}, volume={6}, DOI={10.1126/sciadv.aay7074}, number={17}, journal={Science Advances}, publisher={American Association for the Advancement of Science (AAAS)}, author={Elgabarty, Hossam and Kampfrath, Tobias and Bonthuis, Douwe Jan and Balos, Vasileios and Kaliannan, Naveen Kumar and Loche, Philip and Netz, Roland R. and Wolf, Martin and Kühne, Thomas and Sajadi, Mohsen}, year={2020} }
LibreCat | DOI
 
[14]
2020 | Journal Article | LibreCat-ID: 34301
@article{Elgabarty_Kühne_2020, title={Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences}, volume={22}, DOI={10.1039/c9cp06960g}, number={19}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Elgabarty, Hossam and Kühne, Thomas}, year={2020}, pages={10397–10411} }
LibreCat | DOI
 
[13]
2019 | Journal Article | LibreCat-ID: 34303
@article{Elgabarty_Kaliannan_Kühne_2019, title={Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse}, volume={9}, DOI={10.1038/s41598-019-46449-5}, number={110002}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Elgabarty, Hossam and Kaliannan, Naveen Kaliannan and Kühne, Thomas}, year={2019} }
LibreCat | DOI
 
[12]
2017 | Journal Article | LibreCat-ID: 34304
@article{Scarbath-Evers_Jähnigen_Elgabarty_Song_Narikawa_Matysik_Sebastiani_2017, title={Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy}, volume={19}, DOI={10.1039/c7cp01218g}, number={21}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Scarbath-Evers, Laura Katharina and Jähnigen, Sascha and Elgabarty, Hossam and Song, Chen and Narikawa, Rei and Matysik, Jörg and Sebastiani, Daniel}, year={2017}, pages={13882–13894} }
LibreCat | DOI
 
[11]
2017 | Journal Article | LibreCat-ID: 34306
@article{Pulst_Elgabarty_Sebastiani_Kressler_2017, title={The annular tautomerism of lithium 1,2,3-triazolate}, volume={41}, DOI={10.1039/c6nj03732a}, number={4}, journal={New Journal of Chemistry}, publisher={Royal Society of Chemistry (RSC)}, author={Pulst, Martin and Elgabarty, Hossam and Sebastiani, Daniel and Kressler, Jörg}, year={2017}, pages={1430–1435} }
LibreCat | DOI
 
[10]
2017 | Journal Article | LibreCat-ID: 34305
@article{Pylaeva_Ivanov_Baldus_Sebastiani_Elgabarty_2017, title={Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids}, volume={8}, DOI={10.1021/acs.jpclett.7b00561}, number={10}, journal={The Journal of Physical Chemistry Letters}, publisher={American Chemical Society (ACS)}, author={Pylaeva, Svetlana and Ivanov, Konstantin L. and Baldus, Marc and Sebastiani, Daniel and Elgabarty, Hossam}, year={2017}, pages={2137–2142} }
LibreCat | DOI
 
[9]
2015 | Journal Article | LibreCat-ID: 34307
@article{Spura_Elgabarty_Kühne_2015, title={“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer}, volume={17}, DOI={10.1039/c4cp05192k}, number={22}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Spura, Thomas and Elgabarty, Hossam and Kühne, Thomas}, year={2015}, pages={14355–14359} }
LibreCat | DOI
 
[8]
2015 | Journal Article | LibreCat-ID: 34309
@article{Kessler_Elgabarty_Spura_Karhan_Partovi-Azar_Hassanali_Kühne_2015, title={Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations}, volume={119}, DOI={10.1021/acs.jpcb.5b04185}, number={31}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas}, year={2015}, pages={10079–10086} }
LibreCat | DOI
 
[7]
2015 | Journal Article | LibreCat-ID: 34308
@article{Kühne_Partovi-Azar_Elgabarty_2015, title={Ab-initio-Moleküldynamik}, volume={63}, DOI={10.1002/nadc.201590095}, number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Kühne, Thomas and Partovi-Azar, P. and Elgabarty, Hossam}, year={2015}, pages={327–335} }
LibreCat | DOI
 
[6]
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
 
[5]
2014 | Journal Article | LibreCat-ID: 34311
@article{Watermann_Elgabarty_Sebastiani_2014, title={Phycocyanobilin in solution – a solvent triggered molecular switch}, volume={16}, DOI={10.1039/c3cp54307b}, number={13}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Watermann, Tobias and Elgabarty, Hossam and Sebastiani, Daniel}, year={2014}, pages={6146–6152} }
LibreCat | DOI
 
[4]
2013 | Journal Article | LibreCat-ID: 34312
@article{Elgabarty_Wolff_Glaubitz_Hinderberger_Sebastiani_2013, title={First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy}, volume={15}, DOI={10.1039/c3cp51938d}, number={3816082}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Elgabarty, Hossam and Wolff, Milian and Glaubitz, Adrian and Hinderberger, Dariush and Sebastiani, Daniel}, year={2013} }
LibreCat | DOI
 
[3]
2012 | Journal Article | LibreCat-ID: 34313
@article{Elgabarty_Schmieder_Sebastiani_2012, title={Unraveling the existence of dynamic water channels in light-harvesting proteins: alpha-C-phycocyanobilin in vitro}, volume={4}, DOI={10.1039/c2sc21145a}, number={2}, journal={Chem. Sci.}, publisher={Royal Society of Chemistry (RSC)}, author={Elgabarty, Hossam and Schmieder, Peter and Sebastiani, Daniel}, year={2012}, pages={755–763} }
LibreCat | DOI
 
[2]
2010 | Journal Article | LibreCat-ID: 34314
@article{Heller_Elgabarty_Zhuang_Sebastiani_Hinderberger_2010, title={Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations}, volume={114}, DOI={10.1021/jp910335t}, number={22}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Heller, Jeannine and Elgabarty, Hossam and Zhuang, Bilin and Sebastiani, Daniel and Hinderberger, Dariush}, year={2010}, pages={7429–7438} }
LibreCat | DOI
 
[1]
2010 | Journal Article | LibreCat-ID: 34315
@article{Gad_Hassanein_Abdel-Maksoud_Shaban_Abou-Aisha_Elgabarty_2010, title={Assessment of serum levels of asymmetric dimethylarginine, symmetric dimethylarginine and<scp>l</scp>-arginine in coronary artery disease}, volume={15}, DOI={10.3109/1354750x.2010.519784}, number={8}, journal={Biomarkers}, publisher={Informa UK Limited}, author={Gad, Mohamed Z. and Hassanein, Sally I. and Abdel-Maksoud, Sahar M. and Shaban, Gamal M. and Abou-Aisha, Khaled and Elgabarty, Hossam}, year={2010}, pages={746–752} }
LibreCat | DOI
 
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