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. 2020 Feb 10;85(5):2938–2944. doi: 10.1021/acs.joc.9b02530

Figure 1.

Figure 1

ECD spectra of 3a and 3g, measured in cyclohexane (solid black lines) and calculated at the TD-CAM-B3LYP/6-311++G(2d,2p) level and ΔΔG-based Boltzmann average (dashed blue lines). Wavelengths were corrected to match the experimental UV maximum.