2024-01 | Green-synthetized β-amino-α-carbethoxy ethyl acrylates as corrosion inhibitors for mild steel in acid media: Experimental performance evaluation and atomic/molecular-level modeling | 하산 르가즈 |
2023-04-18 | Insights into the Corrosion Inhibition Performance of Isonicotinohydrazide Derivatives for N80 Steel in 15% HCl Medium: An Experimental and Molecular Level Characterization | 하산 르가즈 |
2023-03-16 | Insights into the Corrosion Inhibition Performance of Three 2-Isoxazoline-γ-Lactones for Carbon Steel in Acidic Medium: Linking Molecular and Experimental-Level Information with Microscopic-Scale Modeling | 하산 르가즈 |
2023-12 | Interactions and Mechanisms of Sulfonium Salts with Metal Interfaces: An In-Depth Computational Exploration of COSMO-RS Profiles, Quantum Chemistry and Molecular Dynamics on Iron, Copper, and Aluminum | 하산 르가즈 |
2023-11 | Interfacial phenomena and surface protection of N80-carbon steel in acidic environments using thiazolidinediones: An experimental and computational analysis | 하산 르가즈 |
2023-08 | Investigating the Biological Activities of Moroccan Cannabis Sativa L Seed Extracts: Antimicrobial, Anti-inflammatory, and Antioxidant Effects with Molecular Docking Analysis | 하산 르가즈 |
2023-12 | Investigating the effects of polypropylene-TiO2 loading on the performance of polysulfone/polyetherimide ultrafiltration membranes for azo dye removal: Experimental and molecular dynamics simulation | 하산 르가즈 |
2024-01 | Mechanistic insights and therapeutic implications of novel pyrazoline derivatives on antioxidant and enzymatic inhibitory activities | 하산 르가즈 |
2023-11 | Molecular insights into the corrosion inhibition mechanism of omeprazole and tinidazole: a theoretical investigation | 하산 르가즈 |
2023-12 | Multi-technique investigation on the surface interaction of diatomaceous earth with organic phase change material: Experimental and molecular dynamics aspects | 하산 르가즈 |
2023-03-21 | Multifunctional Cross-Linked Shrimp Waste-Derived Chitosan/MgAl-LDH Composite for Removal of As(V) from Wastewater and Antibacterial Activity | 하산 르가즈 |
2022-07 | New low-cost tubular ceramic microfiltration membrane based on natural sand for tangential urban wastewater treatment | 하산 르가즈 |
2023-07 | On the Development of an Intelligent Poly(aniline-co-o-toluidine)/Fe3O4/Alkyd Coating for Corrosion Protection in Carbon Steel | 하산 르가즈 |
2023-07 | On the Development of an Intelligent Poly(aniline-co-o-toluidine)/Fe˂sub˃3˂/sub˃O˂sub˃4˂/sub˃/Alkyd Coating for Corrosion Protection in Carbon Steel | 하산 르가즈 |
2023-02-27 | Performance evaluation and assessment of the corrosion inhibition mechanism of carbon steel in HCl medium by a new hydrazone compound: Insights from experimental, DFT and first-principles DFT simulations | 하산 르가즈 |
2024-01 | Unexpected efficient one-pot synthesis, DFT calculations, and docking study of new 4-hydroxy-2H-chromen-2-one derivatives predicted to target SARS-CoV-2 spike protein | 하산 르가즈 |
2023-05 | Unraveling Bonding Mechanisms and Electronic Structure of Pyridine Oximes on Fe(110) Surface: A Computational Study | 하산 르가즈 |
2023-04-18 | Unraveling Bonding Mechanisms and Electronic Structure of Pyridine Oximes on Fe(110) Surface: Deeper Insights from DFT, Molecular Dynamics and SCC-DFT Tight Binding Simulations | 하산 르가즈 |
2023-08 | Unraveling the anti-corrosion mechanisms of a novel hydrazone derivative on steel in contaminated concrete pore solutions: An integrated study | 하산 르가즈 |
2023-07 | Unveiling the potency of Silica-Alumina-rich clay in phenol remediation and its repurposing prospects | 하산 르가즈 |
2023-11 | Unveiling the role of transition metal catalysts in low-temperature, liquid-phase isopropanol oxidation | 하산 르가즈 |