. 2019 May 9;6(Pt 4):603–609. doi: 10.1107/S2052252519004706

Table 1. DFT-B3LYP/6-311G** calculated hole-transfer (λ_h) and electron-transfer (λ_e) reorganization energies of C₅-PyDI, C₆-PyDI, t-C₅-PyDI and t-C₆-PyDI by the APS approach.

Table 1. DFT-B3LYP/6-311G** calculated hole-transfer (λh) and electron-transfer (λe) reorganization energies of C5-PyDI, C6-PyDI, t-C5-PyDI and t-C6-PyDI by the APS approach.