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Author

Feng Li

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Open access Sep 2026

Mixed Localized and Delocalized Bonding in a Linear‑B3‑Centered B3Mg6 – Cluster

The structural and bonding properties of the boron–magnesium alloy cluster B3Mg6 – were investigated using quantum chemical calculations. The global minimum is identified as a highly symmetric D 3h structure featuring an unusual linear B3 core embedded in a Mg-rich framework. Bonding analyses show that the cluster cont...

Shu-Juan Gao, Chong Hu, Feng Li et al. · 0 citations

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