Figure 5
HOMO and LUMO of molecules 1–10. The molecular orbitals were calculated at the B3LYP/cc-pVTZ level and are depicted at the 0.01 and 002 isovalues for 1–5 and 6–10, respectively.
Figure 5 | Scientific Reports
HOMO and LUMO of molecules 1–10. The molecular orbitals were calculated at the B3LYP/cc-pVTZ level and are depicted at the 0.01 and 002 isovalues for 1–5 and 6–10, respectively.
