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. 2019 Jul 25;15(8):4497–4506. doi: 10.1021/acs.jctc.9b00529

Figure 2.

Figure 2

Schematic illustration of distance-based fragmentation for arbitrary orbital connectivity. Each fragment has one unique center (red) and Nf – 1 edge (green) orbitals (here Nf = 4). The total number of fragments is equal to the total number of orbitals.