Molecular-level investigation of the adsorption mechanisms of thiazolidinediones on Cu2O(111) surface: a first-principles DFT study
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CORROSION REVIEWS, 2024
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Surface interaction and inhibition mechanisms of hydrazide derivatives on N80 steel in acidizing media: A comprehensive analysis through experimental and theoretical methods
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CHEMICAL PHYSICS LETTERS, 2024
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Interfacial adsorption mechanism of hydroxycinnamic acids on iron surfaces: A computational perspective toward eco-friendly corrosion mitigation strategies
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APPLIED SURFACE SCIENCE, 2024
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Unveiling the role of transition metal catalysts in low-temperature, liquid-phase isopropanol oxidation
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INORGANIC CHEMISTRY COMMUNICATIONS, 2024
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Selenocyanates and selenotetrazoles derivatives: A detailed experimental and theoretical evaluation as corrosion inhibitors for mild steel in aggressive environment
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ELECTROCHIMICA ACTA, 2024
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Enhanced corrosion resistance properties of 15Al-85Zn coating by post-treatment with sodium hexa-meta phosphate in saline solution
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CORROSION SCIENCE, 2024
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Exploring the potential of isonicotinohydrazide derivatives in N80 steel corrosion control: An integrated approach through synthesis, modeling, and experimentation in acidic environments
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2023
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Multi-technique investigation on the surface interaction of diatomaceous earth with organic phase change material: Experimental and molecular dynamics aspects
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JOURNAL OF MOLECULAR LIQUIDS, 2023
29
Determination of coefficient "s" and apparent activation energy for?i? fib?/i? model code's maturity-based strength function when applied to fly ash concrete
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CONSTRUCTION AND BUILDING MATERIALS, 2023
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Comprehensive analysis of the structural, elastic, electronic, optical, and mechanical properties of orthorhombic CS(NH2)2 under pressure: A first-principles approach