| Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor M Chalkha, AA el Hassani, A Nakkabi, B Tüzün, M Bakhouch, ... Journal of Molecular Structure 1273, 134255, 2023 | 38 | 2023 |
| A combined molecular dynamics simulation, DFT calculations, and experimental study of the adsorption of Rhodamine B dye on kaolinite and hydroxyapatite in aqueous solutions AA El Hassani, K Tanji, I El Mrabet, Y Fahoul, A El Gaidoumi, ... Surfaces and Interfaces 36, 102647, 2023 | 33 | 2023 |
| DFT Theoretical Study of 5-(4-R-Phenyl)-1H-tetrazole (R = H; OCH3; CH3; Cl) as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid AA El Hassani, Z El Adnani, AT Benjelloun, M Sfaira, M Benzakour, ... Metals and Materials International 26, 1725-1733, 2020 | 22 | 2020 |
| Reactivity and Fe-complexation investigation by computational simulation studies on phenyltetrazole derivatives as mild steel corrosion inhibitors in aqueous acidic medium AAEL Hassani, Z El Adnani, AT Benjelloun, M Sfaira, M Mcharfi, ... Journal of Molecular Liquids 349, 118169, 2022 | 6 | 2022 |
| Investigating Quinazolinone Derivatives as Corrosion Inhibitors for Mild Steel in 1.0 M HCl: Experimental Insights, DFT Calculations, and MC Simulations H Malki, A Ameziane Elhassani, S El Hamzi, N Dkhirech, I Forsal, F Elhajri, ... Analytical and Bioanalytical Electrochemistry 16 (6), 568-594, 2024 | | 2024 |
| Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation A Roua, AAE Hassani, A Fitri, AT Benjelloun, M Benzakour, M Mcharfi, ... Journal of Molecular Modeling 30 (6), 1-16, 2024 | | 2024 |
| Rational design of new small derivatives of 2, 2'-Bithiophene as hole transport material for perovskite solar cells M Adadi, M Hachi, K Said, AAE Hassani, J Znaki, FZ Znaki, AT Benjelloun, ... Journal of Fluorescence, 1-17, 2024 | | 2024 |
