| A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions M Khnifira, W Boumya, M Abdennouri, M Sadiq, M Achak, G Serdaroğlu, ... International Journal of Biological Macromolecules 166, 707-721, 2021 | 65 | 2021 |
| Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation W Boumya, M Khnifira, A Machrouhi, M Abdennouri, M Sadiq, M Achak, ... Journal of Molecular Liquids 331, 115706, 2021 | 50 | 2021 |
| Adsorption mechanisms investigation of methylene blue on the (0 0 1) zeolite 4A surface in aqueous medium by computational approach and molecular dynamics M Khnifira, S El Hamidi, M Sadiq, S Şimşek, S Kaya, N Barka, ... Applied Surface Science 572, 151381, 2022 | 43 | 2022 |
| Theoretical and experimental study of the adsorption characteristics of Methylene Blue on titanium dioxide surface using DFT and Monte Carlo dynamic simulation M Khnifiraa, S El Hamidia, A Machrouhia, A Mahsounea, W Boumyaa, ... Homo 2 (2), 2020 | 32 | 2020 |
| Adsorption of methylene blue cationic dye onto brookite and rutile phases of titanium dioxide: Quantum chemical and molecular dynamic simulation studies M Khnifira, S El Hamidi, A Mahsoune, M Sadiq, G Serdaroğlu, S Kaya, ... Inorganic Chemistry Communications 129, 108659, 2021 | 31 | 2021 |
| Experimental, DFT and MD simulation studies of Mordant Black 11 dye adsorption onto polyaniline in aqueous solution H Hajjaoui, M Khnifira, A Soufi, M Abdennouri, S Kaya, R Akkaya, N Barka Journal of Molecular Liquids 364, 120045, 2022 | 23 | 2022 |
| Box–Behnken design for understanding of adsorption behaviors of cationic and anionic dyes by activated carbon W Boumyaa, M Khnifiraa, A Machrouhia, M Abdennouria, M Achakb, ... molecules 15, 17-19, 2021 | 22 | 2021 |
| A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface M Khnifira, W Boumya, J Attarki, A Mahsoune, M Sadiq, M Abdennouri, ... Chemical Physics Impact 5, 100121, 2022 | 20 | 2022 |
| HF and SiF4 adsorption on carbon graphite (1 1 1) surface in aqueous medium: A combined DFT and MD simulation approach M Khnifira, A Mahsoune, ME Belghiti, L Khamar, M Sadiq, M Abdennouri, ... Materials Today: Proceedings 37, 3987-3993, 2021 | 20 | 2021 |
| Combined DFT and MD simulation approach for the study of SO2 and CO2 adsorption on graphite (111) surface in aqueous medium M Khnifira, A Mahsoune, ME Belghiti, L Khamar, M Sadiq, M Abdennouri, ... Current Research in Green and Sustainable Chemistry 4, 100085, 2021 | 19 | 2021 |
| Elucidating the adsorption mechanisms of anionic dyes on chitosan (110) surface in aqueous medium by quantum chemical and molecular dynamics M Khnifira, W Boumya, J Attarki, A Mahsoune, M Abdennouri, M Sadiq, ... Materials Today Communications 33, 104488, 2022 | 14 | 2022 |
| Adsorption mechanism investigation of methylthioninium chloride dye onto some metal phosphates using Monte Carlo dynamic simulations and DFT calculations J Attarki, M Khnifira, W Boumya, A Mahsoune, EM Lemdek, M Sadiq, ... Inorganic Chemistry Communications 149, 110436, 2023 | 12 | 2023 |
| Synthetic dyes adsorption and discoloration of a textile wastewater effluent by H3PO4 and H3BO3 activated Thapsia transtagana biomass. A Machrouhi, W Boumya, M Khnifira, M Sadiq, M Abdennouri, A Elhalil, ... | 11 | 2020 |
| Adsorption characteristics of dopamine by activated carbon: Experimental and theoretical approach M Khnifira, W Boumya, J Attarki, A Mahsoune, M Abdennouri, M Sadiq, ... Journal of Molecular Structure 1278, 134964, 2023 | 10 | 2023 |
| Molecular dynamic simulations and computational DFT of adsorption performances of malachite green on the metal fluorides in aqueous medium W Boumya, M Khnifira, M Abdennouri, S Kaya, M Achak, N Barka Journal of Molecular Structure 1270, 133924, 2022 | 10 | 2022 |
| Facile nitric acid activation of carob seeds for efficient recovery of heavy metals from water M Farnane, A Machrouhi, M Khnifira, M Barour, R Elmoubarki, ... Desalin. Water Treat 204, 174-188, 2020 | 8 | 2020 |
| Effect of MgFe2O4 catalyst preparation method on its surface characteristics and Fenton-like oxidation of tartrazine: statistical comparison and DFT-assisted predation of mechanism A Soufi, M Khnifira, H Hajjaoui, M Abdennouri, S Kaya, H Bessbousse, ... Materials Today Communications 35, 105737, 2023 | 7 | 2023 |
| Mono and binary mixture removal of eriochrome black T and Cr (VI) from water by SiO2/polyaniline composite H Hajjaoui, A Soufi, M Khnifira, M Abdennouri, FZ Mahjoubi, N Barka Materials Chemistry and Physics 296, 127220, 2023 | 7 | 2023 |
| Zinc chloride activation of carob shells for heavy metals removal from water: statistical optimisation, characterisation and isotherm modelling M Farnane, A Machrouhi, M Khnifira, M Barour, R Elmoubarki, S Qourzal, ... International Journal of Environmental Analytical Chemistry 102 (16), 3961-3974, 2022 | 6 | 2022 |
| Adsorption of dyes on microwave assisted activated stalks of pepper plants: Experimental, DFT and Monte Carlo simulation studies M Barour, H Tounsadi, M Khnifira, M Farnane, A Machrouhi, ... Applied Surface Science Advances 16, 100424, 2023 | 5 | 2023 |
