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. 2022 Jun 16;2(6):1383–1394. doi: 10.1021/jacsau.2c00085

Figure 11.

Figure 11

FMOs and FMOLs of N-methyl-C-phenylnitrone. FMOs, (a) HOMO and (b) LUMO, are largely delocalized to the aromatic ring that is not the most reactive part of the molecule. In contrast, FMOLs, (c) HOMOL and (d) LUMOL, can clearly identify the reaction sites. Iso = 0.05.