Thesis Type: Postgraduate
Institution Of The Thesis: Gazi University, Fen Bilimleri Enstitüsü, FİZİK ANABİLİM DALI, Turkey
Approval Date: 2014
Thesis Language: Turkish
Student: ÖZLEM KAMAN ŞAHİN
Supervisor: MEHMET BAHAT
Open Archive Collection: AVESIS Open Access Collection
Abstract:In this study, the structure parameters, the electronic energies, dipole moments, the highest occupied molecular orbital (HOMO) energies, the lowest unoccupied molecular orbital (LUMO) energies, the static polarizabilities and the anisotropic polarizabilities values of the borazine and 19 fluoroborazine molecules are calculated with DFT B3LYP/6-311 + + G(2d, p) methods. The calculations were studied via the GAUSSIAN03W.