Graphene and graphene oxide as adsorbents for cadmium and lead heavy metals: A theoretical investigation SM Elgengehi, S El-Taher, MAA Ibrahim, JK Desmarais, KE El-Kelany Applied Surface Science 507, 145038, 2020 | 48 | 2020 |
A review on the electrochemistry of tin IA Ammar, S Darwish, MW Khalil, S El-Taher Materials chemistry and physics 21 (1), 1-47, 1989 | 40 | 1989 |
Anodic oxide film formation on tin IA Ammar, S Darwish, MW Khalil, S El-Taher Corrosion 46 (3), 197-202, 1990 | 31 | 1990 |
Comparative investigation of interactions of hydrogen, halogen and tetrel bond donors with electron-rich and electron-deficient π-systems MAA Ibrahim, OAM Ahmed, NAM Moussa, S El-Taher, H Moustafa RSC advances 9 (56), 32811-32820, 2019 | 23 | 2019 |
An ab initio study of the structures and energetics of the planar ground and 90°‐twisted excited states of substituted ethylenes S El‐Taher, RH Hilal, TA Albright International Journal of Quantum Chemistry 82 (5), 242-254, 2001 | 22 | 2001 |
Ab initio and DFT investigation of fluorinated methyl hydroperoxides: Structures, rotational barriers, and thermochemical properties S El-Taher Journal of fluorine chemistry 127 (1), 54-62, 2006 | 19 | 2006 |
Ab initio study of reactions of hydroxyl radicals with chloro‐and fluoro‐substituted methanes S El‐Taher International Journal of Quantum Chemistry 84 (4), 426-440, 2001 | 17 | 2001 |
Kinetics of the ferro—ferricyanide electron transfer reaction on anodically formed tin oxide IA Ammar, SA Darwish, MW Khalil, S El-Taher Electrochimica acta 33 (2), 231-238, 1988 | 17 | 1988 |
Equilibrium geometry and gas‐phase proton affinity of 2‐thiouracil derivatives H Moustafa, S El‐Taher, MF Shibl, R Hilal International journal of quantum chemistry 87 (6), 378-388, 2002 | 16 | 2002 |
DFT and PCM-TD-DFT investigation of the electronic structures and spectra of 5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone derivatives S El-Taher, M Metwaly Journal of Molecular Structure 1134, 840-850, 2017 | 15 | 2017 |
Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study MAA Ibrahim, OAM Ahmed, S El-Taher, JH Al-Fahemi, NAM Moussa, ... ACS omega 6 (4), 3319-3329, 2021 | 13 | 2021 |
Electronic structure of some adenosine receptor antagonists. VQSAR investigation S El-Taher, KM El-Sawy, R Hilal Journal of chemical information and computer sciences 42 (2), 386-392, 2002 | 13 | 2002 |
A structural study on the azide–tetrazole equilibrium in the azidobenzothiazole system. DFT-treatment RH Abu-Eittah, S El-Taher, WMI Hassan, MA Noamaan Computational and Theoretical Chemistry 1033, 52-59, 2014 | 12 | 2014 |
Unexpected favourable noncovalent interaction between chlorine oxyanions (ClOx−; x= 1–4) and benzene: Benchmarking DFT and SAPT methods with respect to CCSD (T) SM Elgengehi, S El-Taher, MAA Ibrahim, KE El-Kelany Computational and Theoretical Chemistry 1199, 113214, 2021 | 7 | 2021 |
Theoretical investigation of the structures and properties of fluoromethyl peroxyl radicals S El‐Taher, AA El‐Azhary International journal of quantum chemistry 98 (6), 502-514, 2004 | 7 | 2004 |
Ab initio and DFT investigation of the structures and properties of chloromethyl and chlorofluoromethyl peroxyl radicals S El‐Taher International journal of quantum chemistry 102 (2), 178-188, 2005 | 6 | 2005 |
Adsorption of chlorine oxyanions, as water disinfectant by-products, on graphene flakes: A quantum chemical investigation SM Elgengehi, S El-Taher, KE El-Kelany Surfaces and Interfaces 28, 101601, 2022 | 5 | 2022 |
Theoretical study on peroxyl radical additions to methyl‐substituted ethenes S El‐Taher, AA Mohamed International Journal of Quantum Chemistry 77 (4), 761-771, 2000 | 5 | 2000 |
A DFT study on the structures and stabilities of As-doped Sin− 1 (n= 2–15) clusters A Kodlaa, S El-Taher Computational and Theoretical Chemistry 992, 134-141, 2012 | 4 | 2012 |
Theoretical investigation of the oxidation pathways of HO•-initiated reactions of acrolein, methacrolein, and trans-crotonaldehyde S El-Taher Canadian Journal of Chemistry 87 (12), 1716-1726, 2009 | 4 | 2009 |