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Density functional theory calculations on (2e)-3-(3-bromo-4-methoxypheny1)-1-(pyridin-2-Y1) prop-2-en-1-one

Öner, Nazmiye; Tamer, Ömer; Başoğlu, Adil; Avcı, Davut; Atalay, Yusuf (Amer Inst Physics, 2017)

In this paper, quantum chemical calculations of (2e)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl)-prop-2-en1-one were performed by using B3LYP and CAMB3LYP levels of density functional theory (DFT) with 6-31 1++G(d, p) ...