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Motif interaction energies for selected (a) Ni-2a and (b) Ni-2b dimers containing one or two metastable (MS) endo-nitrito forms compared with ground-state (GS) dimers. For numerical data, see the Supporting Information. GS-MS means that the first molecule is in the ground state and the second molecule in the excited state; in the case of asymmetric motifs, the first molecule is always the left one, as shown in Figure 4.
