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. 2022 Feb 18;24(9):5669–5679. doi: 10.1039/d1cp05187c

Fig. 1. Normalised theoretical absorption spectra of cyclopropanone (blue), solvated cyclopropanone (red) and cyclopropanone hydrate (green) obtained with ΔSCF using the electric dipole operator in the length (left) and velocity (right) representations for the electronic part.

Fig. 1