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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 EnnafaaEnergy, Materials and Sustainable Development Team, CERN2D, Higher School of Technology Salé, Mohammed V University, Rabat 8007, MoroccoAnas ChrakaLaboratory of Materials Engineering and Sustainable Energy (IMED-LAB), Faculty of Science, Abdelmalek Essaadi University, Tetouan, MoroccoK. TassaouiEnergy, Materials and Sustainable Development Team, CERN2D, Higher School of Technology Salé, Mohammed V University, Rabat 8007, MoroccoI. MouamrLaboratory of Heterocyclic Organic Chemistry, Medicines Science Research Center, Pharmaco Chemistry Competence Center, Mohammed V University in Rabat, Faculty of Sciences, Av. Ibn Battouta, BP 1014 Rabat, MoroccoM. DamejEnergy, Materials and Sustainable Development Team, CERN2D, Higher School of Technology Salé, Mohammed V University, Rabat 8007, MoroccoAyoub El MahmoudiChemistry (GEOPAC) Research Center, Faculty of Science, Mohammed V University in Rabat, Rabat, 10010, MoroccoKhalid BougrinChemical & Biochemical Sciences Green-Process Engineering (CBS-GPE), Mohammed VI Polytechnic University, Hay Moulay Rachid, Benguerir, Lot 660, MoroccoH. T. RahalDepartment of Chemistry, Faculty of Science, Lebanese International University, PO Box: 146404, LebanonMohammed BenmessaoudEnergy, Materials and Sustainable Development Team, CERN2D, Higher School of Technology Salé, Mohammed V University, Rabat 8007, Morocco
2025en
ABI

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