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Figure captions:
Figure 1. Plot of the relation between p-phenols toxicity,
log(1/IC 50), and Cu-O bond lengths,d Cu-O, of data sets A (black squares), B (red
circles) and C (blue triangles). Dashed lines correspond to linear
parameters in Table 2.
Figure 2. Plot of the relation between p-phenols toxicity,
log(1/IC 50), and QTAIM charges of Cu atoms of
data sets A (black squares), B (red circles) and C (blue triangles).
Dashed lines correspond to linear parameters in Table 2.
Figure 3. Plot of the relation between p-phenols toxicity,
log(1/IC 50), and BCP electron density Laplacians
of Cu-O bonds, ∇2ρBCP, of data sets A
(black squares), B (red circles) and C (blue triangles). Dashed lines
correspond to linear parameters in Table 2.
Figure 4. Plot of the relation between p-phenols toxicity,
log(1/IC 50), and interaction energies,E int, of data sets A (black squares), B (red
circles) and C (blue triangles). Dashed lines correspond to linear
parameters in Table 2.