. 2019 Jul 23;4(7):12555–12560. doi: 10.1021/acsomega.9b01463

Table 1. HOMO and LUMO Orbital Energies (in eV), the HOMO–LUMO Gap (Also in eV), and the Maximum Absorption Wavelengths λ_max (in nm) of the Five Antifungal Tripeptides, FAR, FAY, FVY, FWC, and FWY, Predicted by the MN12SX/Def2TZVP/H2O Model Chemistry.

	HOMO	LUMO	HOMO–LUMO gap	λ_max
FAR	–7.051	–2.838	4.213	294
FAY	–6.223	–3.285	2.938	422
FVY	–6.254	–1.753	4.501	275
FWC	–5.634	–1.733	3.901	318
FWY	–5.634	–3.184	2.450	506

Table 1. HOMO and LUMO Orbital Energies (in eV), the HOMO–LUMO Gap (Also in eV), and the Maximum Absorption Wavelengths λmax (in nm) of the Five Antifungal Tripeptides, FAR, FAY, FVY, FWC, and FWY, Predicted by the MN12SX/Def2TZVP/H2O Model Chemistry.