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FMOs and FMOLs of diphenyldiazomethane. (a) HOMO, (b) LUMO, (c) HOMOL, and (d) LUMOL. FMOs of diphenyldiazomethane are localized properly to the reactive sites. Although FMOLs can make small improvements, FMOs and FMOLs are quite similar. Iso = 0.05.
