Synthesis, X-ray Crystallography, Spectroscopic Characterizations, Density Functional Theory, and Hirshfeld Surface Analyses of a Novel (Carbonato) Picket Fence Iron(III) Complex
Dhifet, Mondher, Gassoumi, Bouzid, Lutoshkin, Maxim A, Kazachenko, Anna S, Kazachenko, Aleksandr S, Al-Dossary, Omar, Issaoui, Noureddine, Nasri, Habib
Published in Molecules (Basel, Switzerland) (06.08.2024)
Published in Molecules (Basel, Switzerland) (06.08.2024)
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Journal Article
Host-guest complexation studies of NO3, NO2, CO2, and N2 gas with the calix[4]arene molecule
Gassoumi, Bouzid, Ghalla, Houcine, Chaabane, Rafik Ben
Published in Journal of molecular modeling (01.06.2020)
Published in Journal of molecular modeling (01.06.2020)
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Journal Article
Design, synthesis, and density functional theory studies of a new selective chemosensor for Pb2
Hadi, Hamid, Bouzid, Gassoumi, Nasr, Samia, Ghalla, Houcine, Ben Chaabane, Rafik, Ayachi, Sahbi
Published in Heliyon (01.09.2023)
Published in Heliyon (01.09.2023)
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Journal Article
Supramolecular clumps of μ2-1,3-acetate bridges of Cd(II)-Salen complex: Synthesis, spectroscopic characterization, crystal structure, DFT quantization's, and antifungal photodynamic therapy
Majumdar, Dhrubajyoti, Philip, Jessica Elizabeth, Gassoumi, Bouzid, Ayachi, Sahbi, Abdelaziz, Balkis, Tüzün, Burak, Roy, Sourav
Published in Heliyon (15.05.2024)
Published in Heliyon (15.05.2024)
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Journal Article
Design, Transport/Molecular Scale Electronics, Electric Properties, and a Conventional Quantum Study of a New Potential Molecular Switch for Nanoelectronic Devices
Hadi, Hamid, Gassoumi, Bouzid, Nasr, Samia, Safari, Reza, Basha, A. Aathif, Imran, Predhanekar Mohamed, Ghalla, Houcine, Caccamo, Maria Teresa, Ayachi, Sahbi
Published in ACS omega (09.01.2024)
Published in ACS omega (09.01.2024)
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Journal Article
Exploring Nano-optical Molecular Switch Systems for Potential Electronic Devices: Understanding Electric and Electronic Properties through DFT-QTAIM Assembly
Hadi, Hamid, Aouled Dlala, Najet, Cherif, Imen, Gassoumi, Bouzid, Abdelaziz, Balkis, Safari, Reza, Caccamo, Maria Teresa, Magazù, Salvatore, Patanè, Salvatore, Ghalla, Houcine, Ayachi, Sahbi
Published in ACS omega (10.09.2024)
Published in ACS omega (10.09.2024)
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Journal Article
A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran
Chérif, Imen, Gassoumi, Bouzid, Ayachi, Hajer, Echabaane, Mosaab, Caccamo, Maria Teresa, Magazù, Salvatore, Said, Ayoub Haj, Taoufik, Boubaker, Ayachi, Sahbi
Published in Heliyon (15.03.2024)
Published in Heliyon (15.03.2024)
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Journal Article
DFT-Computational Modeling and TiberCAD Frameworks for Photovoltaic Performance Investigation of Copper-Based 2D Hybrid Perovskite Solar Absorbers
Chouchen, Bilel, Mhadhbi, Noureddine, Gassoumi, Bouzid, Hamdi, Intissar, Hadi, Hamid, der Maur, Matthias Auf, Chouaih, Abdelkader, Ladhari, Taoufik, Magazù, Salvatore, Naïli, Houcine, Ayachi, Sahbi
Published in ACS omega (09.07.2024)
Published in ACS omega (09.07.2024)
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Journal Article
Linear and Nonlinear Optical Responses of Nitrobenzofurazan-Sulfide Derivatives: DFT-QTAIM Investigation on Twisted Intramolecular Charge Transfer
Abdelaziz, Balkis, Chérif, Imen, Gassoumi, Bouzid, Patanè, Salvatore, Ayachi, Sahbi
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.11.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.11.2023)
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Journal Article
Molecular engineering of D-π-A-type structures based on nitrobenzofurazan (NBD) derivatives for both organic solar cells and nonlinear optical response
Abdelaziz, Balkis, Mazouz, Zouhour, Gassoumi, Bouzid, Boukortt, Nour El Islam, Patanè, Salvatore, Ayachi, Sahbi
Published in Journal of molecular liquids (01.02.2024)
Published in Journal of molecular liquids (01.02.2024)
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Journal Article
On the Significant Importance of Hg···Cl Spodium Bonding/σ/π-Hole/Noncovalent Interactions and Nanoelectronic/Conductivity Applications in Mercury Complexes: Insights from DFT Spectrum
Hazra, Suman, Majumdar, Dhrubajyoti, Frontera, Antonio, Roy, Sourav, Gassoumi, Bouzid, Ghalla, Houcine, Dalai, Sudipta
Published in Crystal growth & design (04.09.2024)
Published in Crystal growth & design (04.09.2024)
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Journal Article
Sunlight-activated dye degradation of ZnO/CdO-decorated graphene oxide and its antibacterial activity
Pritha, Periyasamy, Kishore, Govindarajalu, Xavier, S., Paularokiadoss, Francisxavier, Bhakiaraj, D., Periandy, S., Bouzid, Gassoumi, Ayachi, Sahbi
Published in Materials chemistry and physics (15.10.2024)
Published in Materials chemistry and physics (15.10.2024)
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Journal Article
Tailoring ZnS nanostructures through precipitation-cum-hydrothermal synthesis for enhanced wastewater purification and antibacterial treatment
Kaur, Harpreet, Kumar, Sanjeev, Kumar, Parul, Ghfar, Ayman A., Bouzid, Gassoumi
Published in Environmental research (15.10.2024)
Published in Environmental research (15.10.2024)
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Journal Article
Synthesis, characterization, crystal structure, and fabrication of photosensitive Schottky device of a binuclear Cu()-Salen complex: a DFT investigations
Majumdar, Dhrubajyoti, Gassoumi, Bouzid, Dey, Arka, Roy, Sourav, Ayachi, Sahbi, Hazra, Suman, Dalai, Sudipta
Published in RSC advances (02.05.2024)
Published in RSC advances (02.05.2024)
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Journal Article
Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations
Rayene, Kadri, Imane, Djellala, Abdelaziz, Bouhadiba, Leila, Nouar, Fatiha, Madi, Abdelkrim, Guendouzi, Bouzid, Gassoumi, Ismahan, Lafifi, Brahim, Houari, Rabah, Oumeddour
Published in Journal of molecular structure (05.02.2022)
Published in Journal of molecular structure (05.02.2022)
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Journal Article
Quantum computational investigation into optoelectronic and topological properties of a synthesized nanocomposite containing Hydroxyapatite-alt-Polyethylene Glycol (HAP/PEG)
Chérif, Imen, Bouazzi, Dorsaf, Caccamo, Maria Teresa, Gassoumi, Bouzid, Magazù, Salvatore, Badraoui, Bechir, Ayachi, Sahbi
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05.04.2024)
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05.04.2024)
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Journal Article
Exploration of intramolecular charge transfer in para-substituted nitrobenzofurazan: Experimental and theoretical analyses
Chérif, Imen, Raissi, Hanen, Abiedh, Khouloud, Gassoumi, Bouzid, Caccamo, Maria Teresa, Magazu, Salvatore, Said, Ayoub Haj, Hassen, Fredj, Boubaker, Taoufik, Ayachi, Sahbi
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.11.2023)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.11.2023)
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