Sofian Gatfaoui

University of Carthage — TN

Chemistry · Physical Sciences

16h-index1.2kcitations50works0.02yr avg
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Research Topics

Crystal structures of chemical compounds(21), Crystallography and molecular interactions(20), Crystallization and Solubility Studies(20), X-ray Diffraction in Crystallography(20), Nonlinear Optical Materials Research(15)

Publications50 total

A copper(II) aminopyrimidinone complex: X-ray crystallography, computational analysis, dielectric spectroscopy and molecular docking
Journal of Coordination Chemistry·2024
CCDC 2241631: Experimental Crystal Structure Determination
The Cambridge Structural Database·2024Open Access
Synthesis, structure, surface analysis, molecular docking, physico-chemical characteristics, and DFT calculus discussion of a novel hybrid perovskite material: (C5H6ClN2)2HgCl4
Inorganic Chemistry Communications·2023· 6 cited
CCDC 1982384: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
Promising bioactive properties of (2R,5S)-2,5-dimethylpiperazine-1,4-diium dinitrate material: experimental, theoretical and in silico investigation
Zeitschrift für Physikalische Chemie·2023· 1 citedOpen Access
CCDC 2236747: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
X-Ray Crystallography, Molecular Interactions, DFT Study, and Molecular Docking Investigation of a Novel Noncentrosymmetric Cu(II) Complex of 2,6-Dimethylpyrimidin-4-(1 H)-One Based Ligand
Journal of Cluster Science·2023· 3 cited
CCDC 2258214: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
Synthesis, characterization and identification of inhibitory activity on the main protease of COVID-19 by molecular docking strategy of (4-oxo-piperidinium ethylene acetal) trioxonitrate
Journal of King Saud University - Science·2023· 11 citedOpen Access
Investigations on the non-covalent interactions, drug-likeness, molecular docking and chemical properties of 1,1,4,7,7- pentamethyldiethylenetriammonium trinitrate by density-functional theory
Journal of King Saud University - Science·2023· 65 citedOpen Access
Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound
Molecules·2023· 9 citedOpen Access
CCDC 2062160: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study
Journal of Molecular Structure·2021· 74 cited
Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study
Heliyon·2021· 82 citedOpen Access
Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate
Journal of King Saud University - Science·2021· 73 citedOpen Access
CCDC 1942855: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CCDC 1996865: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
Self assembly of a novel Cu(II) complex, (C6H9N2)2[CuCl4]: experimental, computational, and molecular docking survey
Journal of the Iranian Chemical Society·2021· 10 citedOpen Access
Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative
Journal of King Saud University - Science·2020· 82 citedOpen Access
CCDC 2004289: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
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Frequent Co-authors

Houda Marouani(40), Thierry Roisnel(32), Noureddine Issaoui(29), Omar M. Al-Dossary(11), Аleksandr S. Kazachenko(9), Olfa Noureddine(7), Silvia Antonia Brandán(7), Chérif Ben Nasr(6), Mouna Medimagh(5), Mohamed Rzaigui(5), Ali Mezni(4), Hassouna Dhaouadi(4), Abir Sagaama(3), Anna S. Kazachenko(3), Wijdène Nbili(3), Kamel Kaabi(3), H. Marouani(3), Marek J. Wójcik(2), Ikram Jomaa(2), Mariem Tahenti(2)