A comparative study on the experimental and calculated results of mid-infrared and Raman vibrational modes of nucleic acid bases.


The MIR (mid-infrared) and Raman spectra of the nucleic acid base powders were tested by Fourier transform infrared spectroscopy and laser Raman spectroscopy. The vibrational modes of nucleic acid base crystals were simulated by the generalized energy-based fragmentation approach under periodic boundary conditions (hereinafter referred as PBC-GEBF) together… (More)
DOI: 10.1016/j.jmgm.2017.04.016

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