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. 2017 Jun 30;22(7):1093. doi: 10.3390/molecules22071093

Figure 1.

Figure 1

Graphical representation of the HOMO − 1, HOMO, LUMO and LUMO + 1 for S1, S2, T1, T2 states of PdTPP computed at M06/6 − 31G * level of theory.