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The FTIR and FT-Raman spectra of Pteridine2,4-dione has been recorded in the region 4000–450 and 4000–100cm −1 , respectively. The tautomeric stability, optimized geometry, frequency and intensity of the vibrational bands of Pteridine2,4-dione were obtained by the density functional theory (DFT) using 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled...
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