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

Table 7. Computed Nature, Excitation Energies (ΔE, in eV), Oscillator Strengths (f), and Electric Dipole Moments (μ, in D) for the Lowest Electronic States in Tryptophan.

State Nature ΔECASPT2 f μ
S0 83.3%... ... ... 6.627
S1 66.8% πr πr* 4.3324 0.0177 6.023
    4.42    
S2 58.1%πr πr* 4.77 0.0672 9.684
S3 46.8% nCOπCO* 5.71 0.0358 5.808
S4 69.8% nCOπCO* 5.71 0.002 5.039