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. 2019 Feb 21;24(4):776. doi: 10.3390/molecules24040776

Figure 2.

Figure 2

IR spectra of the A232 molecule computed with different levels of theory. Spectra are Gaussian broadened by 1 cm−1 (Gaussian width). Some spectra are plotted in the negative for better visibility. The intensities are in 10−40 esu2 cm2.