Seuraa
Noureddine ISSAOUI
Noureddine ISSAOUI
Université de Monastir, ISIMM, Laboratoire de physique quantique et statistique,Tunisie
Vahvistettu sähköpostiosoite verkkotunnuksessa isimm.rnu.tn - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
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 …
O Noureddine, N Issaoui, M Medimagh, O Al-Dossary, H Marouani
Journal of King Saud University-Science 33 (2), 101334, 2021
1262021
Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate
O Noureddine, S Gatfaoui, SA Brandan, A Sagaama, H Marouani, ...
Journal of Molecular Structure 1207, 127762, 2020
1232020
Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses
F Akman, N Issaoui, AS Kazachenko
Journal of Molecular Modeling 26 (6), 161, 2020
1202020
Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis
A Jumabaev, U Holikulov, H Hushvaktov, N Issaoui, A Absanov
Journal of Molecular Liquids 377, 121552, 2023
1192023
Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis
AS Kazachenko, F Akman, H Abdelmoulahi, N Issaoui, YN Malyar, ...
Journal of Molecular Liquids 342, 117475, 2021
1182021
DFT and molecular docking study of chloroquine derivatives as antiviral to coronavirus COVID-19
O Noureddine, N Issaoui, O Al-Dossary
Journal of King Saud University-Science 33 (1), 101248, 2021
1082021
Non covalent interactions and molecular docking studies on morphine compound
A Sagaama, N Issaoui, O Al-Dossary, AS Kazachenko, MJ Wojcik
Journal of King Saud University-Science 33 (8), 101606, 2021
1052021
Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis
AS Kazachenko, N Issaoui, A Sagaama, YN Malyar, O Al-Dossary, ...
Journal of King Saud University-Science 34 (8), 102350, 2022
932022
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 …
N Issaoui, H Ghalla, F Bardak, M Karabacak, NA Dlala, HT Flakus, B Oujia
Journal of Molecular Structure 1130, 659-668, 2017
932017
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
M Medimagh, CB Mleh, N Issaoui, AS Kazachenko, T Roisnel, ...
Journal of Molecular Liquids 369, 120851, 2023
902023
Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method
A Ramalingam, S Sambandam, M Medimagh, O Al-Dossary, N Issaoui, ...
Journal of King Saud University-Science 33 (8), 101632, 2021
902021
Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: experimental and computational analysis
I Jomaa, N Issaoui, T Roisnel, H Marouani
Journal of Molecular Structure 1242, 130730, 2021
902021
Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and …
N Issaoui, H Ghalla, S Muthu, HT Flakus, B Oujia
Spectrochimica acta part a: molecular and biomolecular spectroscopy 136 …, 2015
882015
Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking
A Sagaama, SA Brandan, TB Issa, N Issaoui
Heliyon 6 (8), 2020
862020
Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative
O Noureddine, N Issaoui, S Gatfaoui, O Al-Dossary, H Marouani
Journal of King Saud University-Science 33 (2), 101283, 2021
842021
Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological …
A Sagaama, O Noureddine, SA Brandán, A Jarczyk-Jędryka, HT Flakus, ...
Computational Biology and Chemistry 87, 107311, 2020
842020
Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde
H Ghalla, N Issaoui, F Bardak, A Atac
Computational Materials Science 149, 291-300, 2018
822018
Investigation of hydrogen bonded structure of urea-water mixtures through Infra-red spectroscopy and non-covalent interaction (NCI) theoretical approach
F Hammami, N Issaoui, S Nasr
Computational and Theoretical Chemistry 1199, 113218, 2021
782021
Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1, 4-diium bis (hydrogen sulfate)
O Noureddine, S Gatfaoui, SA Brandán, H Marouani, N Issaoui
Journal of Molecular Structure 1202, 127351, 2020
782020
Theoretical IR spectral density of H-bond in liquid phase: combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations
N Rekik, N Issaoui, B Oujia, MJ Wójcik
Journal of Molecular Liquids 141 (3), 104-109, 2008
782008
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Artikkelit 1–20