Yazar "Tahaoğlu, Duygu" için Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü Koleksiyonu listeleme
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Revisiting the Role of Charge Transfer in the Emission Properties of Carborane-Fluorophore Systems: A TDDFT Investigation
Tahaoǧlu, Duygu; Usta, Hakan; Alkan, Fahri (American Chemical Society, 2022)In this study, we performed a detailed investigation of the S1 potential energy surface (PES) of o-carborane-anthracene (o-CB-Ant) with respect to the C-C bond length on o-CB and the dihedral angle between o-CB and Ant ... -
Solute aggregation in Ca72Zn28metallic glass
Tahaoğlu, Duygu; Durandurdu, Murat (Elsevier, 2018)Solidification of the Ca72Zn28 melt is achieved by using both the thermal quenching and rapid pressurizing techniques in ab initio molecular dynamics simulations within a generalized gradient approximation. A chemical ...