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. 2021 Jun 4;9:679528. doi: 10.3389/fchem.2021.679528

TABLE 3.

FMO energies (eV) and its levels of the prepared supramolecular complexes of the octyloxybenzoic acid C8 [(A-F)C8].

Compound HOMO LUMO ΔE
A/C8 −6.06 −2.50 3.56
B/C8 −6.10 −2.61 3.49
C/C8 −6.15 −2.82 3.33
D/C8 −6.14 −2.79 3.35
E/C8 −6.14 −2.76 3.38
F/C8 −6.23 −3.46 2.77