Houcine Ghalla

Understanding the adsorption of Pb2+, Hg2+ and Zn2+ from aqueous solution on a lignocellulosic biomass char using advanced statistical physics models and density functional theory simulations

Lotfi Sellaoui, Didilia Ileana Mendoza‐Castillo, Hilda Elizabeth Reynel‐Ávila et al. · Chemical Engineering Journal · 2019 · 129 citations

Natural Sciences, Chemical Engineering, Chemistry +14

Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory

Noureddine Issaoui, Houcine Ghalla, S. Muthu et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 109 citations

Natural Sciences, Chemistry, Physics +17

Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking

Noureddine Issaoui, Houcine Ghalla, Fehmi Bardak et al. · Journal of Molecular Structure · 2016 · 95 citations

Pharmacy, Chemistry, Medicinal Chemistry +15

Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities

Abir Sagaama, Olfa Noureddine, Silvia Antonia Brandán et al. · Computational Biology and Chemistry · 2020 · 95 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

Insights of the adsorption mechanism of methylene blue on brazilian berries seeds: Experiments, phenomenological modelling and DFT calculations

Lotfi Sellaoui, Dison S.P. Franco, Houcine Ghalla et al. · Chemical Engineering Journal · 2020 · 87 citations

Agriculture, Food Science, Plant Sciences +5