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

Table 4. Computed Nature, Excitation Energies (ΔE, in eV), Oscillator Strengths (f), and Electric Dipole Moments (μ, in D) for the Lowest Electronic States in Tyrosine.

state nature ΔECASPT2 f μ
S0 85.6%... ... ... 3.28
S1 75.4% πr πr* 4.49(4.40)27 0.0056 3.27
S2 81.0% nCO πCO* 5.54 0.0019 2.18
S3 65.5% πr πr* 5.67 0.006 4.01
S4 79.1% πr πr* 5.98 0.759 3.36