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Beilstein J. Org. Chem. 2019, 15, 1475–1479, doi:10.3762/bjoc.15.148
Graphical Abstract
Scheme 1: Examples of 2e-3c and 2e-4c bonded structures.
Figure 1: CCSD(T)/cc-pVTZ (MP2/cc-pVTZ) optimized structures and relative energies [in kcal/mol] of 1–4.
Figure 2: (a) Total electron density, (b) HOMO and (c) LUMO of the dication 1; coefficients are calculated at...