Litcius/Paper detail

Computational analysis of anionic dyes adsorption on the kaolinite (001) surface: Combination of quantum chemical calculations and molecular simulation methods

Otheman Amrhar, Ahmed El Yacoubi

2024Computational and Theoretical Chemistry10 citationsDOI

Topics & Concepts

AdsorptionKaoliniteQuantum chemicalSurface (topology)Materials scienceComputational chemistryChemical engineeringMoleculeChemistryNanotechnologyPhysical chemistryOrganic chemistryMineralogyMathematicsEngineeringGeometryIron oxide chemistry and applicationsClay minerals and soil interactionsAdsorption and biosorption for pollutant removal
Computational analysis of anionic dyes adsorption on the kaolinite (001) surface: Combination of quantum chemical calculations and molecular simulation methods | Litcius