| 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 | 102 | 2020 |
| 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 | 100 | 2021 |
| 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 | 100 | 2020 |
| 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 | 99 | 2021 |
| 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 | 93 | 2021 |
| 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 | 88 | 2021 |
| 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 | 84 | 2017 |
| 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 | 81 | 2021 |
| 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 | 81 | 2015 |
| 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 | 80 | 2020 |
| 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 | 76 | 2020 |
| 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 | 75 | 2022 |
| 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 | 75 | 2008 |
| Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde H Ghalla, N Issaoui, F Bardak, A Atac Computational Materials Science 149, 291-300, 2018 | 73 | 2018 |
| 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 | 72 | 2020 |
| Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid N Issaoui, H Ghalla, SA Brandán, F Bardak, HT Flakus, A Atac, B Oujia Journal of Molecular Structure 1135, 209-221, 2017 | 71 | 2017 |
| 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 | 70 | 2021 |
| 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 | 69 | 2023 |
| 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 | 68 | 2021 |
| Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects N Issaoui, N Rekik, B Oujia, MJ Wójcik International Journal of Quantum Chemistry 110 (14), 2583-2602, 2010 | 68 | 2010 |
Omar Al-DossaryProfessor of Physics, king Saud universityVerified email at ksu.edu.sa
