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Author

A. Ben Ahmed

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2 papers indexed here

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Oct 2026

Unveiling phase-dependent structure-property relationships in cyclohexaphosphane (P6H6) molecular blocks: A DFT and TD-DFT study of electronic structure, optical response, and intermolecular interactions.

Phosphorene-based nanomaterials have attracted considerable interest because of Physicochemical properties. However, the influence of local molecular geometry on the properties of finite phosphorene-related molecular motifs remains insufficiently explored. In this work, density functional theory (DFT) and time-dependen...

M. Qasemnazhand, F. Khoeini, A. ben Ahmed · 0 citations
Open access Aug 2026

Linking structure, reactivity, and function in a multifunctional zinc bromide hybrid material: application to bisphenol A sensing and antimicrobial activity

In this work, a new zinc bromide hybrid compound, [ZnBr3(κN–C6H9N2)] (AMPZnBr), based on 2-aminomethylpyridine (AMP), was synthesized using the Schlenk technique and comprehensively characterized by single-crystal X-ray diffraction, spectroscopic analyses, and density functional theory (DFT) calculations. The crystal s...

Intissar Hamdi, K. Al-Namshah, H. Edziri et al. · 0 citations

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