Sabry El-Taher Ahmed
Professor of Computational Quantum Chemistry
Department of Chemistry, Faculty of Science, Cairo University, Giza, Egypt
(email)
Elgengehi, S. M., S. El-Taher, and K. E. El-Kelany,
"
Adsorption of chlorine oxyanions, as water disinfectant by-products, on graphene flakes: A quantum chemical investigation
",
Surfaces and Interfaces
, vol. 28, issue 101601, 2022.
paper2022.pdf
Elgengehi, S. M., K. E. El-Kelany, and S. El-Taher,
"
A DFT investigation of anion-π interactions between halogen oxyanions (XO3‾, X = Cl, Br, I) and aromatic pi-systems (benzene and coronene)
",
5th International conference on advanced sciences ICAS5
: IOP Conf. Series: Materials Science and Engineering, pp. 1046 (012017), 2021.
paper2021_3.pdf
Elgengehi, S. M., S. El-Taher, M. A. A. Ibrahim, and K. E. El-Kelany,
"
Unexpected favourable noncovalent interaction between chlorine oxyanions (ClOx- ; x = 1–4) and benzene: Benchmarking DFT and SAPT methods with respect to CCSD(T)
",
Computational and Theoretical Chemistry
, vol. 1199, issue 113214, 2021.
paper2021_2.pdf
Ibrahim, M. A. A., O. A. M. Ahmed, S. El-Taher, J. H. Al-Fahemi, N. A. M. Moussa, and H. Moustafa,
"
Cospatial σ‑Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π‑Systems: A Quantum Mechanical Study
",
ACS Omega
, issue 6, pp. 3319−3329, 2021.
paper2021_1.pdf
Elgengehi, S. M., S. El-Taher, M. A. A. Ibrahim, J. K. Desmarais, and K. E. El-Kelany,
"
Graphene and graphene oxide as adsorbents for cadmium and lead heavy metals: A theoretical investigation
",
Applied Surface Science
, vol. 507, pp. 145038, 2020.
paper2020.pdf
Ibrahim, M. A. A., O. A. M. Ahmed, N. A. M. Moussa, S. El-Taher, and H. Moustafa,
"
Comparative investigation of interactions of hydrogen, halogen and tetrel bond donors with electron-rich and electron-deficient π-systems
",
RSC Advances
, vol. 9, issue 56, pp. 32811-32820, 2019.
paper2019.pdf
Hassan, W. M. I., S. El-Taher, and M. A. Noamaan,
"
Theoretical Study of the Substituent and Solvent Effects on Azide-Tetrazole Equilibrium of 2-Azido-1, 3-benzothiazoles
",
International Conference on Chemical, Agricultural and Medical Sciences (CAMS-2013)
, Kuala Lumpur (Malaysia)., Dec. 29-30, 2013.
Abstract
n/a
and Ammar, I. A., D. K. E. - T. S. M. W. S.,
"
Electrochemical Studies on the passive behaviour of tin in different buffer solutions
",
Materialwissenschaft und Werkstofftechnik
, vol. 19, issue 8, pp. 271–279, 1988.
Abstract
n/a
El-Taher, S., and M. Metwaly,
"
DFT and PCM-TD-DFT investigation of the electronic structures and spectra of 5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone derivatives
",
Journal of Molecular Structure
, vol. 1134: Elsevier, pp. 840-850, 2017.
Abstract
n/a
Ammar, I. A., S. A. Darwish, M. W. Khalil, and S. El-Taher,
"
Kinetics of the ferro—ferricyanide electron transfer reaction on anodically formed tin oxide
",
Electrochimica acta
, vol. 33, issue 2: Elsevier, pp. 231-238, 1988.
Abstract
n/a
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