Houda Marouani

Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations

Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh et al. · Journal of King Saud University - Science · 2021 · 147 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate

Olfa Noureddine, Sofian Gatfaoui, Silvia Antonia Brandán et al. · Journal of Molecular Structure · 2020 · 140 citations

Natural Sciences, Chemistry, Medicinal Chemistry +11

DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound

Mouna Medimagh, Cherifa Ben Mleh, Noureddine Issaoui et al. · Journal of Molecular Liquids · 2022 · 110 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +14

Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: Experimental and computational analysis

Ikram Jomaa, Noureddine Issaoui, Thierry Roisnel et al. · Journal of Molecular Structure · 2021 · 100 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +16

Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui et al. · Heliyon · 2021 · 97 citations · Full text

Natural Sciences, Chemistry, Physics +17