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. Author manuscript; available in PMC: 2017 Sep 25.
Published in final edited form as: J Phys Chem A. 2015 Dec 1;119(49):11862–11874. doi: 10.1021/acs.jpca.5b10067

Figure 6.

Figure 6

Fully anharmonic IR, VCD, Raman and ROA spectra of (R)-4-X-2-azetidinones (X=F, Cl, Br) in the 300–4000 cm−1 range. All computations have been performed at the B3LYP/SNSD level, and the computed lines have been convoluted by means of Lorentzian distribution functions with FWHM of 4 cm−1.