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We report vibrationally broadened Franck–Condon (FC) spectra of Violaxanthin (Vx) and Zeaxanthin (Zx) for the lowest-energy 1A g →1B u band that arises from the bright HOMO→LUMO single-electron excitation. Geometries were optimized using standard (1A g ) and time-dependent (1B u ) density functional theory (DFT) at the (TD-)CAM-B3LYP/6-31G(d) level, both in the gas...
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