Table 3 Minimum interaction energy \(E_{min}\) (kcal/mol) and corresponding inter-spacing \(\xi\) (nm) for spherical DOX (\(a=0.75\) nm) interacting with various \(\hbox {CeO}_2\) nanoparticle shapes (sphere, sheet, and cylinder). Results are presented for local energy minima found both inside and on the surface of the nanoparticles. The spherical and cylindrical nanoparticles are assumed to have a radius of 20 nm.

From: Experimental and theoretical evaluation of geometry-dependent doxorubicin loading onto cerium oxide nanoparticles via van der Waals interaction modeling