Computational study of some thiophene derivatives as aluminium corrosion inhibitors

Hamza Allal, Youghourta Belhocine, Emna Zouaoui

Journal of Molecular Liquids

Materials ScienceChemical EngineeringCorrosion ProtectionEngineeringCorrosion +6

DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum

Nesrine Ammouchi, Hamza Allal, Youghourta Belhocine, +2

Journal of Molecular Liquids

Materials SciencePyrazinamide DerivativesEngineeringMolecular Dynamics InvestigationsConformational Study +4

Synthesis, crystal structure, spectroscopic and hirshfeld surface analysis, NCI-RDG, DFT computations and antibacterial activity of new asymmetrical azines

Chaabane Chiter, Abdelaziz Bouchama, Toma Mouas, +5

Journal of Molecular Structure

Combinatorial ChemistryCrystal StructureMedicinal ChemistryBiochemistryNatural Sciences +8

3,4-Dimethoxy phenyl thiosemicarbazone as an effective corrosion inhibitor of copper under acidic solution: comprehensive experimental, characterization and theoretical investigations

Naima Benachour, Amel Delimi, Hamza Allal, +12

RSC Advances

Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight

Hamza Allal, Youghourta Belhocine, Seyfeddine Rahali, +2

Journal of Molecular Modeling

Materials ScienceDispersion-corrected Dft InsightEngineeringPhysicochemical AnalysisSurface Chemistry +9

Enhancing corrosion resistance of XC38 steel using sulfur and nitrogen-containing phenyl thiosemicarbazone: A comprehensive experimental and computational analysis

Smail Brioua, Amel Delimi, Hana Ferkous, +11

Journal of the Taiwan Institute of Chemical Engineers

Materials ScienceChemical EngineeringCorrosion ProtectionEngineeringCorrosion +5

Quantum chemical exploration on the inhibition performance of indole and some of its derivatives against copper corrosion

Maamar Damous, Hamza Allal, Youghourta Belhocine, +2

Journal of Molecular Liquids

Materials ScienceEngineeringQuantum Chemical ExplorationCorrosionNatural Sciences +9

Computational DFT analysis and molecular modeling on imidazole derivatives used as corrosion inhibitors for aluminum in acidic media

Salim Bousba, Hamza Allal, Maamar Damous, +1

Computational and Theoretical Chemistry

Materials ScienceInorganic ChemistryChemical EngineeringImidazole DerivativesEngineering +10

Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations

Abdelaziz Bouhadiba, Seyfeddine Rahali, Youghourta Belhocine, +3

Carbohydrate Research

EngineeringEnergetic InvestigationCyclodextrin ProductionHost/guest Inclusion ProcessDispersion-corrected Dft Calculations +5

Inclusion complexation of chloroquine with α and β-cyclodextrin: Theoretical insights from the new B97-3c composite method

Ibtissem Meriem Assaba, Seyfeddine Rahali, Youghourta Belhocine, +1

Journal of Molecular Structure

EngineeringCyclodextrin ProductionOrganic ChemistryInclusion ComplexationMolecular Complex +3