| Spectroscopic characterization (IR, UV-Vis), and HOMO-LUMO, MEP, NLO, NBO analysis and the antifungal activity for 4-bromo-N-(2-nitrophenyl) benzamide; using DFT modeling and … SK Alghamdi, F Abbas, RK Hussein, AG Alhamzani, NT El‐Shamy Journal of Molecular Structure 1271, 134001, 2023 | 61 | 2023 |
| Molecular docking identification for the efficacy of some zinc complexes with chloroquine and hydroxychloroquine against main protease of COVID-19 RK Hussein, HM Elkhair Journal of Molecular Structure 1231, 129979, 2021 | 61 | 2021 |
| DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6, 6′-Diamino-1, 1′, 3, 3′-tetramethyl-5, 5′-(4-chlorobenzylidene) bis [pyrimidine-2, 4 … NT El-Shamy, AM Alkaoud, RK Hussein, MA Ibrahim, AG Alhamzani, ... Molecules 27 (3), 620, 2022 | 51 | 2022 |
| Density functional theory and molecular docking investigations of the chemical and antibacterial activities for 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one AM Deghady, RK Hussein, AG Alhamzani, A Mera Molecules 26 (12), 3631, 2021 | 42 | 2021 |
| Density functional theory investigation of some pyridine dicarboxylic acids derivatives as corrosion inhibitors AT Hassan, RK Hussein, M Abou-krisha, MI Attia International Journal of Electrochemical Science 15 (5), 4274-4286, 2020 | 25 | 2020 |
| Theoretical and experimental studies of different amine compounds as corrosion inhibitors for aluminum in hydrochloric acid RK Hussein, M Abou-Krisha, TA Yousef Biointerface Res. Appl. Chem 11 (2), 9772, 2021 | 16 | 2021 |
| Environment-friendly corrosion inhibitors for aluminum in hydrochloric acid: Quantum and experimental research TA Yousef, RK Hussein, AG Alhamzani, AT Al-Enazi, MB AL-Osimi, ... Metals 12 (9), 1538, 2022 | 13 | 2022 |
| Molecular structure, frontier molecular orbital and spectral analysis of dimethylamino chalcones efficient lasing dyes AO Elzupir, MKM Ali, RK Hussein, MA Ibrahem, MK Al-Muhanna, ... Journal of Molecular Structure 1178, 285-289, 2019 | 13 | 2019 |
| Spectral, Structural, Stability Characteristics and Frontier Molecular Orbitals of tri-n-butyl phosphate (tbp) and its Degradation Products: DFT calculations RK Hussein, HM Elkhair, AO Elzupir, KH Ibnaouf J. Ovonic Res 17, 23-30, 2021 | 10 | 2021 |
| Experimental and theoretical study of the structure, frontier molecular orbital, tautomerism and spectral analysis of 3-(p-substituted phenyl)-5-phenyl-1H-pyrazole KH Ibnaouf, RK Hussein, HM Elkhair, AO Elzupir Journal of Molecular Liquids 287, 110675, 2019 | 10 | 2019 |
| Probing the action of screened anticancer triazole–tetrazole derivatives against COVID-19 using molecular docking and DFT investigations RK Hussein, G Khouqeer, AM Alkaoud, AM El-Khayatt Natural Product Communications 17 (5), 1934578X221093915, 2022 | 8 | 2022 |
| Intermolecular CH-π electrons interaction in poly (9, 9-dioctylfluorenyl-2, 7-diyl)(PFO): an experimental and theoretical study AO Elzupir, RK Hussein, KH Ibnaouf Molecules 27 (5), 1488, 2022 | 7 | 2022 |
| Molecular docking analysis of novel quercetin derivatives for combating SARS-CoV-2 RK Hussein, M Marashdeh, AM El-Khayatt Bioinformation 19 (2), 178, 2023 | 6 | 2023 |
| Theoretical investigations for electronic structures and photodissociation of bromine molecule A Abdel-Hafiez, R Atteya, ME Medhat Int. J. Phys. Sci 5 (7), 978-983, 2010 | 6 | 2010 |
| The effect of conjugated nitrile structures as acceptor moieties on the photovoltaic properties of dye-sensitized solar cells: DFT and TD-DFT investigation MJ Tommalieh, AI Aljameel, RK Hussein, K Al-Heuseen, SK Alghamdi, ... International Journal of Molecular Sciences 25 (13), 7138, 2024 | 4 | 2024 |
| DFT and TD-DFT Investigations for the Limitations of Lengthening the Polyene Bridge between N, N-dimethylanilino Donor and Dicyanovinyl Acceptor Molecules as a D-π-A Dye … S Abu Alrub, AI Ali, RK Hussein, SK Alghamdi, SA Eladly International Journal of Molecular Sciences 25 (11), 5586, 2024 | 4 | 2024 |
| Substituent effect on the electronic and optical properties of newly designed pyrrole derivatives using density functional theory MJ Aljaafreh, RK Hussein Open Physics 22 (1), 20240012, 2024 | 3 | 2024 |
| Synthesis and characterization of Cu-Doped ZnO nanostructures for UV sensing application K Al-Heuseen, AI Aljameel, RK Hussein BMC chemistry 18 (1), 32, 2024 | 3 | 2024 |
| Spectroscopic, electronic properties analysis for 2, 6-Bis (phenylamino)-4-(iminophenyl) benzoquinone molecule and molecular docking clarification for its anticancer activity … F Abbas, MI Attia, SK Alghamdi, GA Khouqeer, RK Hussein Journal of Molecular Structure 1282, 135231, 2023 | 3 | 2023 |
| Studying the biological activity of trans-[Cu (quin) 2 (EtOH) 2] as potent antimicrobial Cu (II) complex through computational investigations: DFT, ADMET and molecular docking RK Hussein, AM El-Khayatt, OK Al Duaij, AM Alkaoud Frontiers in Bioscience-Landmark 28 (4), 84, 2023 | 3 | 2023 |
