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 |
2021-09 | Molecular modelling of compounds used for corrosion inhibition studies: a review | 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 |
2022-11 | Multilayer perceptron neural network-based QSAR models for the assessment and prediction of corrosion inhibition performances of ionic liquids | 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 |
2022-08 | Peanut shell from agricultural wastes as a sustainable filler for polyamide biocomposites fabrication | 하산 르가즈 |
2023-02 | Performance and interaction mechanism of a new highly efficient benzimidazole-based epoxy resin for corrosion inhibition of carbon steel in HCl: A study based on experimental and first-principles DFTB simulations | 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 |
2021-02 | Phenol adsorption mechanism on the zinc oxide surface: Experimental, cluster DFT calculations, and molecular dynamics simulations | 하산 르가즈 |
2021-09 | Polysulfone/Polyetherimide Ultrafiltration composite membranes constructed on a three-component Nylon-fiberglass-Nylon support for azo dyes removal: Experimental and molecular dynamics simulations | 하산 르가즈 |
2022-09 | Predicting protection capacities of pyrimidine-based corrosion inhibitors for mild steel/HCl interface using linear and nonlinear QSPR models | 하산 르가즈 |
2022-10 | Shellfish waste-derived mesoporous chitosan for impressive removal of arsenic(V) from aqueous solutions: A combined experimental and computational approach | 하산 르가즈 |
2021-09 | Spectroscopic Insight into Tetrahedrally Distorted Square Planar Copper(II) Complex: XRD/HSA, Physicochemical, DFT, and Thermal Investigations | 하산 르가즈 |
2022-12 | Superior Long-Term Corrosion Inhibition of N80 Steel by New Eco- friendly Hydrazone-Based Compounds in a Simulated Oil Well Acidizing Environment: Establishing the Mechanism at the Molecular Level | 하산 르가즈 |
2022-04 | Synthesis of novel hybrid quinoxaline containing triazole and acetamide moieties by azide-alkyne click chemistry: Experimental and theoretical characterization | 하산 르가즈 |
2022-11 | Synthesis, experimental and theoretical characterization of a new copolymer bearing pyrrole and anthracene units | 하산 르가즈 |
2021-05 | Synthesis, structural analysis and corrosion inhibition application of a new indazole derivative on mild steel surface in acidic media complemented with DFT and MD studies | 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 |
2023-04-18 | 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 |
2023-11 | Unveiling the role of transition metal catalysts in low-temperature, liquid-phase isopropanol oxidation | 하산 르가즈 |
2021-06 | Upgrading the performances of polysulfone/polyetherimide ultrafiltration composite membranes for dyes removal: Experimental and molecular dynamics studies | 하산 르가즈 |
2023-02 | Valorization of Lignocellulosic Wastes Material for Efficient Adsorption of a Cationic Azo Dye and Sludge Recycling as a Reinforcement of Thermoplastic Composite | 하산 르가즈 |