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Issue DateTitleAuthor(s)
2021-04The corrosion inhibition and adsorption behavior of mercaptobenzimidazole and bis-mercaptobenzimidazole on carbon steel in 1.0 M HCl: Experimental and computational insights하산 르가즈
2021-03Enhanced removal efficiency of NaY zeolite toward phenol from aqueous solution by modification with nickel (Ni-NaY)하산 르가즈
2021-02Phenol adsorption mechanism on the zinc oxide surface: Experimental, cluster DFT calculations, and molecular dynamics simulations하산 르가즈
2022-01Development of QSAR-based (MLR/ANN) predictive models for effective design of pyridazine corrosion inhibitors하산 르가즈
2023-04A detailed experimental performance of 4-quinolone derivatives as corrosion inhibitors for mild steel in acid media combined with first-principles DFT simulations of bond breaking upon adsorption하산 르가즈
2023-05Computational insights into the adsorption mechanisms of anionic dyes on the rutile TiO2 (1 1 0) surface: Combining SCC-DFT tight binding with quantum chemical and molecular dynamics simulations하산 르가즈
2023-08Evaluation of Corrosion Mitigation Properties of 3-1H-Benzo[d]Imidazol-2-yl-Quinolin-2-ol on the Mild Steel in HCl and H2SO4하산 르가즈
2023-02Valorization of Lignocellulosic Wastes Material for Efficient Adsorption of a Cationic Azo Dye and Sludge Recycling as a Reinforcement of Thermoplastic Composite하산 르가즈
2023-01Exploring the feasibility of new eco-friendly heterocyclic compounds for establishing efficient corrosion protection for N80 steel in a simulated oil well acidizing environment: From molecular-level prediction to experimental validation하산 르가즈
2022-10Anticorrosive properties of green-synthetized benzylidene derivatives for mild steel in hydrochloric acid: An experimental study combined with DFTB and molecular dynamics simulations하산 르가즈
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