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. 2022 Jun 8;7(24):20528–20541. doi: 10.1021/acsomega.2c00001

Figure 5.

Figure 5

Representation of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) at the elected method of DFT/MPW1PW91/6-31G (d,p), of PCLR and PCLM1-–PCLM5.