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Author

M. Qasemnazhand

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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

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