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. 2023 Nov 1;8(45):42492–42510. doi: 10.1021/acsomega.3c05176

Table 9. Donors and Acceptors Contributions in the FMOs of RM and AM1–AM6 Molecules.

molecules excitation energy state percentage contribution of donor(eV) percentage contribution of acceptor(eV)
RM HOMO 68.4 31.6
  LUMO 38.0 62.0
AM1 HOMO 60.7 39.3
  LUMO 43.3 56.7
AM2 HOMO 61.3 38.7
  LUMO 44.5 55.5
AM3 HOMO 61.3 38.7
  LUMO 45.2 54.8
AM4 HOMO 61.5 38.5
  LUMO 45.5 54.5
AM5 HOMO 62.0 38.0
  LUMO 46.4 53.6
AM6 HOMO 62.4 37.6
  LUMO 46.7 53.3