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. 2020 Jul 30;26(50):11634–11642. doi: 10.1002/chem.202002382

Figure 3.

Figure 3

HOMO–LUMO diagrams of PQDC, PPDC, H‐PPQTC, t Bu‐PPQTC, and QPPTC (calculated using DFT‐B3LYP:6‐311++G**).