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An experimental and dual computational study using DFT and MD simulations to better understand the adsorption and corrosion-inhibiting properties of N-(3-(4-Methoxyphenyl) isoxazol-5-yl) methyl saccharin for C38 Steel in acidic medium

Fatima Ennafaa, Anas Chraka, K. Tassaoui, I. Mouamr, M. Damej, Ayoub El Mahmoudi, Khalid Bougrin, H. T. Rahal, Mohammed Benmessaoud

2025Materials Chemistry and Physics66 citationsDOI

Topics & Concepts

AdsorptionSaccharinDensity functional theoryDual (grammatical number)Computational chemistryMaterials sciencePhysical chemistryChemistryEndocrinologyArtLiteratureMedicineCorrosion Behavior and InhibitionNonlinear Optical Materials ResearchMulticomponent Synthesis of Heterocycles
An experimental and dual computational study using DFT and MD simulations to better understand the adsorption and corrosion-inhibiting properties of N-(3-(4-Methoxyphenyl) isoxazol-5-yl) methyl saccharin for C38 Steel in acidic medium | Litcius