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. 2021 Aug 8;6(32):21071–21086. doi: 10.1021/acsomega.1c02811

Table 4. QSAR Parameters for the Tested Complexes.

  complexes
parameters Fe(III) Pd(II) Cu(II)
surface area (grid) (Å) 638.49 719.35 761.51
volume(Å) 1319.54 1329.55 1338.0
hydration energy (kcal/mol) –31.40 –13.75 –21.01
log p –8.16 –0.87 –1.85
reactivity (Å) 134.15 131.91 134.31
polarizability (Å) 50.00 50.55 50.57