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. 2017 Aug 10;8(10):6924–6935. doi: 10.1039/c7sc02267k

Fig. 5. IR spectra of the methanol molecule. The ML spectrum (red) is able to reproduce the AIMD spectrum (blue) obtained with BP86 with high accuracy. In addition, both theoretical spectra agree well with the experimental one recorded in the regions between 600 cm–1 to 4100 cm–1 (grey).

Fig. 5