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Comparison between experimental ECD spectra of (R)-1 measured in MCH at 298 K (left) and 183 K (right) and ECD spectra calculated at CAM-B3LYP/def2-TZVP and B3LYP/def2-TZVP levels as Boltzmann-weighted averages estimated from ωB97X-D/6-31+G(d) energies at the respective temperatures. Spectra plotted as sum of Gaussians with σ = 0.3 eV, shifted by +13 nm, scaling factor 0.31 (CAM-B3LYP); σ = 0.22 eV, shifted by +6 nm, scaling factor 0.6 (B3LYP).
