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These absorptions were characterized on the basis of the results of time-dependent (TD) DFT calculations for 3′ [TD-B3LYP/6-311+G(2d,p)// B3LYP/6-31G(d), HOMO to LUMO+1 (405.3 nm, f = 0.1428) and HOMO to LUMO (519.9 nm, f = 0.0071)].
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These absorptions were characterized on the basis of the results of time-dependent (TD) DFT calculations for 3′ [TD-B3LYP/6-311+G(2d,p)// B3LYP/6-31G(d), HOMO to LUMO+1 (405.3 nm, f = 0.1428) and HOMO to LUMO (519.9 nm, f = 0.0071)].
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