most citedQuantum Study of Halogen Substituted anti-B18H22 Borane Clusters for Optoelectronics

4 citations

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physics.atm-clus2026★ 2 cited

Quantum Study of Dispersion-Corrected Electronic and Optical Properties of syn- and anti- B18H22 Clusters with/without Sulfur Doping for Tunable Optoelectronics

Fakher Abbas, Nabil Joudieh, Habib Abboud +1

This study presents a detailed quantum chemical investigation of the electronic and excited-state properties of syn- and anti-isomers of the borane cluster B18H22 and their sulfur-…

physics.atm-clus2026★ 4 cited

Quantum Study of Halogen Substituted anti-B18H22 Borane Clusters for Optoelectronics

Mahmoud Deeb, Nabil Joudieh, Nidal Chamoun +1

We offer a quantum chemical analysis of mono-halogenated borane molecules using DFT and TD-DFT theories, applying the PBE0/def2-SVPD and B3LYP/6-311+G(d) methods as implemented in…