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

Table 6. Computed Vertical Absorption Energies (EVA), Vertical Emission Energies (EVE), and Band Origin (Te) for Tyrosinea.

  EvA
EvE
Te
S1 state eV nm eV Nm eV nm
CASSCF 4.83 257 4.42 281 4.59 270
CASPT2 4.49 276 4.15 299 4.28 290
Experimental27,28 4.402 282 4.09 304 - -
a

Available experimental data are also included.