Browsing by Subject "6-Chloroflavone"

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Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations

Erdogdu, Y.; Unsalan, O.; Sajan, D.; Gulluoglu, M. T. (PERGAMON-ELSEVIER SCIENCE LTD, 2010)

NIR-FT Raman and FT-IR spectra of 6-chloroflavone were recorded and analyzed. The vibrational wavenumber of the compound have been computed using B3LYP/6-31++G(d,p) level to derive the equilibrium geometry, conformational ...