Skip to main content
. 2019 Apr 12;7:182. doi: 10.3389/fchem.2019.00182

Figure 1.

Figure 1

Illustrative representation of a typical QM/MM set-up of an example metal–oxide, MgO. A QM region with a circumference of 10 Å is shown with large red and green spheres, with point charges colored brown. (A) Top–view from above the slab, (B) side–on from the slab edge.