Research Article
Theoretical and Experimental Study of New Photochromic Bis-Spiropyrans with Hydroxyethyl and Carboxyethyl Substituents
Table 2
Full energies including zero point energy (ZPE) correction + ZPE (a.u.) and relative energies (kcal/mol) of bis-spiropyran (2b) and its open isomers calculated at the CPCM/PBE0/6-311G** level of theory (acetonitrile solutions).
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