- Conference date: 24–28 February 2008
- Location: Thiruvananthapuram, Kerala (India)
Vibrational spectra of 5‐nitro‐6‐methyluracil have been investigated using quantum chemical density functional calculations, FT‐IR and Raman spectra. Harmonic vibrational frequencies were calculated by DFT (B3LYP) method using the basis sets 6‐31G and 6‐311G and compared with the experimental ones. The vibrational band compositions of various modes are reported.
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