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Browsing Makale Koleksiyonu by Author "Mustafa Kusbazoglu"

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Solvent effect in implicit/explicit model on FT-IR, H-1, C-13 and F-19 NMR, UV-vis and fluorescence spectra, linear, second- and third-nonlinear optical parameters of 2-(trifluoromethyl)benzoic acid: Experimental and computational study

Avcı, Davut; Sumeyye Alturk; Tamer, Ömer; Mustafa Kusbazoglu; Atalay, Yusuf (ELSEVIER SCIENCE BV, 2017)

FT-IR, H-1, C-13 and F-19 NMR, UV-vis and fluorescence spectra for 2-(trifluoromethyl)benzoic acid (2 TFMBA) were recorded. DFT//B3LYP/6-31++G(d,p) calculations were used to determine the optimized molecular geometry, ...

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