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. 2015 Feb 20;6(4):2474–2487. doi: 10.1039/c4sc03294b

Table 2. Tabulated contributions from various valence bond pictures to the ground states of complexes 1–6 .

Compound OVB-derived character
Q Cu
%Cu(i) %Cu(ii) %Cu(iii)
1 17.2 70.2 4.3 0.698
2 22.4 67.9 2.2 0.607
3 29.9 60.2 1.8 0.531
4 48.6 42.3 1.3 0.366
5 a 89.0 a 0.665
6 17.0 71.8 3.1 0.656

aNo configurations greater than the printing threshold (0.3%).