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

Table 2. CASSCF S1 and S0 Range of Geometrical Differences (S1–S0).

  phenylalanine tyrosine tryptophan
Lengths (Å) 0–0.04 0–0.04 0–0.06
Angle (deg) 0.0–0.3 0.0–1.7 0.08–4
Dihedral angle (deg) 0.03–1.3 0.02–1.4 0.03–3.5