I agree that this site is using cookies. You can find further informations here.
X
Elgabarty, Hossam
44  results:
Search for persons X
?
1

Breaking the exascale barrier for the electronic structure ..:

Schade, Robert ; Kenter, Tobias ; Elgabarty, Hossam...
The International Journal of High Performance Computing Applications.  37 (2023)  5 - p. 530-538 , 2023
Link: https://doi.org/10.1177/..
 
?
2

Towards electronic structure-based ab-initio molecular dyna..:

Schade, Robert ; Kenter, Tobias ; Elgabarty, Hossam...
Parallel Computing.  111 (2022)  - p. 102920 , 2022
Link: https://doi.org/10.1016/..
 
?
3

Time-resolved terahertz–Raman spectroscopy reveals that cat..:

Balos, Vasileios ; Kaliannan, Naveen Kumar ; Elgabarty, Hossam...
Nature Chemistry.  14 (2022)  9 - p. 1031-1037 , 2022
Link: https://doi.org/10.1038/..
 
?
4

Gemischtvalente Verbindungen als polarisierende Mittel für ..:

Gurinov, Andrei ; Sieland, Benedikt ; Kuzhelev, Andrey...
Angewandte Chemie.  133 (2021)  28 - p. 15499-15503 , 2021
Link: https://doi.org/10.1002/..
 
?
5

Organic Mixed-Valence Compounds and the Overhauser Effect i..:

Pylaeva, Svetlana ; Marx, Patrick ; Singh, Gurjot...
The Journal of Physical Chemistry A.  125 (2021)  3 - p. 867-874 , 2021
Link: https://doi.org/10.1021/..
 
?
6

Mixed‐Valence Compounds as Polarizing Agents for Overhauser..:

Gurinov, Andrei ; Sieland, Benedikt ; Kuzhelev, Andrey...
Angewandte Chemie International Edition.  60 (2021)  28 - p. 15371-15375 , 2021
Link: https://doi.org/10.1002/..
 
?
7

Tumbling with a limp: local asymmetry in water's hydrogen b..:

Elgabarty, Hossam ; Kühne, Thomas D.
Physical Chemistry Chemical Physics.  22 (2020)  19 - p. 10397-10411 , 2020
Link: https://doi.org/10.1039/..
 
?
8

Enhancement of the local asymmetry in the hydrogen bond net..:

Elgabarty, Hossam ; Kaliannan, Naveen Kumar ; Kühne, Thomas D.
Scientific Reports.  9 (2019)  1 - p. , 2019
Link: https://doi.org/10.1038/..
 
?
9

The Conformational Ensemble of Polyglutamine‐14 Chains: Spe..:

Pylaeva, Svetlana ; Böker, Arne ; Elgabarty, Hossam..
ChemPhysChem.  19 (2018)  21 - p. 2931-2937 , 2018
Link: https://doi.org/10.1002/..
 
?
10

The annular tautomerism of lithium 1,2,3-triazolate:

Pulst, Martin ; Elgabarty, Hossam ; Sebastiani, Daniel.
New Journal of Chemistry.  41 (2017)  4 - p. 1430-1435 , 2017
Link: https://doi.org/10.1039/..
 
?
11

Structural heterogeneity in a parent ground-state structure..:

Scarbath-Evers, Laura Katharina ; Jähnigen, Sascha ; Elgabarty, Hossam...
Physical Chemistry Chemical Physics.  19 (2017)  21 - p. 13882-13894 , 2017
Link: https://doi.org/10.1039/..
 
?
12

Molecular Mechanism of Overhauser Dynamic Nuclear Polarizat..:

Pylaeva, Svetlana ; Ivanov, Konstantin L. ; Baldus, Marc..
The Journal of Physical Chemistry Letters.  8 (2017)  10 - p. 2137-2142 , 2017
Link: https://doi.org/10.1021/..
 
?
13

"On-the-fly" coupled cluster path-integral molecular dynami..:

Spura, Thomas ; Elgabarty, Hossam ; Kühne, Thomas D.
Physical Chemistry Chemical Physics.  17 (2015)  22 - p. 14355-14359 , 2015
Link: https://doi.org/10.1039/..
 
?
14

Structure and Dynamics of the Instantaneous Water/Vapor Int..:

Kessler, Jan ; Elgabarty, Hossam ; Spura, Thomas...
The Journal of Physical Chemistry B.  119 (2015)  31 - p. 10079-10086 , 2015
Link: https://doi.org/10.1021/..
 
?
15

Correction: "On-the-fly" coupled cluster path-integral mole..:

Spura, Thomas ; Elgabarty, Hossam ; Kühne, Thomas D.
Physical Chemistry Chemical Physics.  17 (2015)  29 - p. 19673-19674 , 2015
Link: https://doi.org/10.1039/..
 
1-15