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…