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Images of Dox complexes with (a) SiO2 cluster, (b) SiO2-APS, (c) SiO2-2APS and (d) SiO2-PMIDA. The binding energies (Eb) were calculated at the B3LYP-D3-gCP/def2-SVP level of theory in water using ORCA 4.0.1 software [57]. The atoms involved in the binding of molecules on the cluster surface are highlighted in red.
