Yazar "Özçelik, Fatma Nur" için listeleme
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Molecular structure, quantum chemical and spectroscopic properties of 2,6-dibromonaphthalene by density functional theory calculations
Sertbakan, Tevfik Raci; Özçelik, Fatma Nur (Elsevier, 2022)In this work, the quantum chemical calculations were performed by means of the Gaussian09 packet pro-gram, using DFT in gas phase at the B3LYP level, with cc-pVDZ, cc-pVTZ, 6-31G(d,p) and 6-311G(d,p) basis sets. The most ...
