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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.

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ISSN: 2053-2733
Volume 76| Part 5| September 2020| Pages 571-579
https://doi.org/10.1107/S2053273320008062
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