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. 2020 Jul 20;76(Pt 5):571–579. doi: 10.1107/S2053273320008062

Figure 5.

Figure 5

FDET [embedded ADC(2)] derived complexation-induced shifts of the excitation energy (Δ∊emb) obtained for eight intermolecular complexes with different choices for ρB(r). Reference values (Δ∊ref) are obtained from ADC(2) calculations for the whole complex.