Authors : D. K. Jha; M. Pathak

Volume/Issue : Volume 11 - 2026, Issue 10 - October

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Google Scholar : https://tinyurl.com/vnnsbtd3

DOI : https://doi.org/10.38124/ijisrt/26Oct043

Note : A published paper may take 4-5 working days from the publication date to appear in PlumX Metrics, Semantic Scholar, and ResearchGate.

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Abstract : Low-valent main-group clusters that activate small molecules represent an intriguing frontier in modern coordination and cluster chemistry. Herein, the structural topology, correlated electronic structure, excited states, and realspace chemical bonding of the cyclic triberyllium hexaoxide complex Be₃(O₂)₃ are investigated using meta-GGA density functional theory.

Keywords : Beryllium Clusters, Multicenter Bonding, Non-Nuclear Attractor, σ-Aromaticity, Dioxygen Activation, QTAIM, DLPNOCCSD(T).

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32. D. K. Jha; Stabilization of a molecular beryllium electride via interstitial electron localization: A multi-topological and NBO investigation. International Journal of Chemical Research and Development 2026; 8(4), 32-37
33. D. K. Jha; Synergistic stabilization and CO activation in a Be4(NCl)2 cluster: From EDANOCV energetics to electron localization topology. International Journal of Chemical Research and Development 2026; 8(4), 38-43
34. D. K. Jha; Beryllium-Trapped Electride Electrons: A Stable Non Nuclear Bridge in Triazole Dimers. International Journal of Chemical Research and Development 2026; 8(3), 14-18
35. D. K. Jha; σ-Aromatic Stabilization of a Be₄ Core by NH Ligands: DFT Study. International Journal of Chemical Research and Development 2026; 8(3), 06-13
36. D. K. Jha; Covalent Be-Be bonding in a centrosymmetric tetra beryllium cluster stabilised by phenylhydrazone ligands: A combined DFT, QTAIM, and EDA-NOCV study. International Journal of Chemical Research and Development 2026; 8(4), 05-11
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40. D K Jha  and M Pathak; Coordinate bonding, cluster delocalization and topological criticality in a cyclic trimeric beryllium–dinitrogen complex. https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008831/v2