Browsing Fen-Edebiyat Fakültesi by Author "Avci, D; Bahceli, S; Tamer, O; Atalay, Y;"

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Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone

Avcı, Davut; S. Bahceli; Tamer, Ömer; Atalay, Yusuf (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2015)

The optimized molecular structures, conformational analyses, vibrational (IR) frequencies and their assignments, maximum electronic absorption wavelengths (gas phase and in ethanol solvent), H-1 and C-13 NMR chemical shift ...