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. 2024 Aug 6;9(33):35356–35363. doi: 10.1021/acsomega.4c00875

Table 8. Computed Vertical Absorption Energies (EVA), Vertical Emission Energies (EVE), and Band Origin (Te) for Tryptophana.

  EVA
 EVE
 Te
S1 state eV nm eV nm eV nm
CASPT2 4.33 286 3.96 313 4.08 304
Experimental27,28 4.42 281 3.56 348 - -
a

Available experimental data are also included.