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. 2023 Dec 29;29(1):201. doi: 10.3390/molecules29010201

Table 10.

Relative energies at the CASPT2 level of the critical points on the potential energy surface for 1 (energies in kcal/mol relative to the most stable trans-1 isomer).

FC-cis-isom S1Mincis-isom CI-cyc
S0 3.27 11.66 99.85
S1 110.16 101.68 91.60
S2 133.81 121.86 143.88
S3 153.03 135.28 158.58