Fig. 15. Molecular electrostatic potential (MEP) plotted over the density isosurface of [V10As12O40]4− shown in (a) side and (b) top view. The most negative potentials are shown in red. Spin density isosurfaces indicating accumulation of α spins for [V10As12O40]4− (c). Depiction of the HOMO (d) and the LUMO of [V10As12O40]4− (e). Colour code: V = blue, O = red, and As = green spheres.
