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Molecular factors affecting k RISC. a) NTO pairs for excited states of tPBisICz. The weights are given beside the arrows. The oscillator strength and SOCs are given for the singlet and triplet states, respectively. b) k RISC simulated as a function of ∆E TT and ∆E ST2 (≡ |∆E TT − ∆E ST|) for tPBisICz. The diagonal scale of ∆E ST is also supplemented.
