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Carmelo Naim

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Sep 2026

Vibrationally-resolved chiroptical spectra and chiral signatures of organic ketones with TD-DFT.

We report a systematic computational investigation of the (chiro)ptical properties of a series of intrinsically chiral organic ketones, considering the prediction of one-photon absorption, electronic circular dichroism, fluorescence, and circularly polarized luminescence spectra, together with the absorption and lumine...

Carmelo Naim, Célia Noël, Denis Jacquemin · 0 citations

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