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Malika Khnifira

Observed names: Khnifira, M., M. Khnifira, Malika KHNIFIRA
ORCID: 0000-0002-4834-6700
Observed ORCID: 0000-0002-4834-6700
OpenAlex ID: A5000690829
A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
2020 · Malika Khnifira, Wafaa Boumya, et al. · International Journal of Biological Macromolecules · 108
Adsorption mechanisms investigation of methylene blue on the (0 0 1) zeolite 4A surface in aqueous medium by computational approach and molecular dynamics
2021 · M. Khnifira, S. El Hamidi, et al. · Applied Surface Science · 87
A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface
2022 · M. Khnifira, W. Boumya, et al. · Chemical Physics Impact · 76
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Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation
2021 · W. Boumya, M. Khnifira, et al. · Journal of Molecular Liquids · 73
Theoretical and experimental study of the adsorption characteristics of Methylene Blue on titanium dioxide surface using DFT and Monte Carlo dynamic simulation
2020 · Malika Khnifira, Sana El Hamidi, et al. · Desalination and Water Treatment · 58
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Adsorption of methylene blue cationic dye onto brookite and rutile phases of titanium dioxide: Quantum chemical and molecular dynamic simulation studies
2021 · M. Khnifira, S. El Hamidi, et al. · Inorganic Chemistry Communications · 54
Combined DFT and MD simulation approach for the study of SO2 and CO2 adsorption on graphite (111) surface in aqueous medium
2021 · M. Khnifira, A. Mahsoune, et al. · Current Research in Green and Sustainable Chemistry · 43
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Experimental, DFT and MD simulation combined studies for the competitive adsorption of anionic and cationic dyes on activated carbon in an aqueous medium
2024 · M. Khnifira, W. Boumya, et al. · Journal of Molecular Structure · 41
Experimental, DFT and MD simulation studies of Mordant Black 11 dye adsorption onto polyaniline in aqueous solution
2022 · Hind Hajjaoui, Malika Khnifira, et al. · Journal of Molecular Liquids · 41
Adsorption mechanism investigation of methylthioninium chloride dye onto some metal phosphates using Monte Carlo dynamic simulations and DFT calculations
2023 · J. Attarki, M. Khnifira, et al. · Inorganic Chemistry Communications · 33
Elucidating the adsorption mechanisms of anionic dyes on chitosan (110) surface in aqueous medium by quantum chemical and molecular dynamics
2022 · Malika Khnifira, Wafaa Boumya, et al. · Materials Today Communications · 29
Molecular dynamic simulations and computational DFT of adsorption performances of malachite green on the metal fluorides in aqueous medium
2022 · Wafaa Boumya, Malika Khnifira, et al. · Journal of Molecular Structure · 28
Box–Behnken design for understanding of adsorption behaviors of cationic and anionic dyes by activated carbon
2021 · Wafaa Boumya, Malika Khnifira, et al. · Desalination and Water Treatment · 28
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Adsorption of dyes on microwave assisted activated stalks of pepper plants: Experimental, DFT and Monte Carlo simulation studies
2023 · Mohammed Barour, Hanane Tounsadi, et al. · Applied Surface Science Advances · 27
Adsorption characteristics of dopamine by activated carbon: Experimental and theoretical approach
2023 · M. Khnifira, W. Boumya, et al. · Journal of Molecular Structure · 25
HF and SiF4 adsorption on carbon graphite (1 1 1) surface in aqueous medium: A combined DFT and MD simulation approach
2020 · M. Khnifira, A. Mahsoune, et al. · Materials Today Proceedings · 24
Experimental and density functional theory studies of methyl orange adsorption on Ni-Al/LDH intercalated sodium dodecyl sulfate
2023 · A. Machrouhi, M. Khnifira, et al. · Chemical Physics Impact · 23
Density Functional Theory analysis and molecular dynamic simulation to understand the mechanism of hazardous dyes adsorption onto cellulose in aqueous solution
2024 · Malika Khnifira, Wafaa Boumya, et al. · International Journal of Biological Macromolecules · 22
Comparative study of cationic Nile blue and anionic methyl orange dyes adsorption in water on the (110) surface of metal chlorides by DFT and MD approaches
2023 · Wafaa Boumya, Malika Khnifira, et al. · Journal of Physics and Chemistry of Solids · 22
Mono and binary mixture removal of eriochrome black T and Cr(VI) from water by SiO2/polyaniline composite
2022 · Hind Hajjaoui, Amal Soufi, et al. · Materials Chemistry and Physics · 14
Interaction between drug molecule and inverse spinel surfaces in aqueous solution: Insights from DFT and DMC simulation
2023 · Malika Khnifira, Wafaa Boumya, et al. · Computational and Theoretical Chemistry · 13
Effect of MgFe2O4 catalyst preparation method on its surface characteristics and Fenton-like oxidation of tartrazine: Statistical comparison and DFT-assisted predation of mechanism
2023 · Amal Soufi, Malika Khnifira, et al. · Materials Today Communications · 13
Facile nitric acid activation of carob seeds for efficient recovery of heavy metals from water
2020 · M. Farnane, A. Machrouhi, et al. · Desalination and Water Treatment · 11
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Synthetic dyes adsorption and discoloration of a textile wastewater effluent by H3PO4 and H3BO3 activated Thapsia transtagana biomass
2020 · Aicha Machrouhi, Wafaa Boumya, et al. · Desalination and Water Treatment · 11
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An innovative strategy for beneficiating low-grade phosphate ore using gum Arabic-coated magnetic nanoparticle ferrofluid: experimental, DFT and MD simulation studies
2025 · Zohra Farid, Malika Khnifira, et al. · Chemical Engineering and Processing - Process Intensification · 10
Works count: 41
Citation count: 973
H-index: 19
I10-index: 26
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