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Top panel: Comparisons of computed S- and R-Sp ORD spectra (circles), and experimentally measured ORD spectra (solid lines). Middle and bottom panels: Computed R- and S-Sp ECD spectra (dashed lines), and comparisons with experimentally measured ECD spectra (solid lines). The experimental CD spectra are expressed in mdeg/per absorbance unit at 230 nm (1.0 cm optical pathlength).
