Figure 2
Calculated IR spectra of BBPC in the spectral region of both O-H stretching bands in the S0 and S1 states based on the B3LYP/6-31 + G(d)/IEF-PCM (hexane) theoretical level.
Figure 2 | Scientific Reports
Calculated IR spectra of BBPC in the spectral region of both O-H stretching bands in the S0 and S1 states based on the B3LYP/6-31 + G(d)/IEF-PCM (hexane) theoretical level.
