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. 2008 Oct 20;129(15):154108. doi: 10.1063/1.2992527

Figure 1.

Figure 1

The shape of a unit negative MM-atom charge after expansion using s3p partial wave orbitals and polarization by the QM system of a H2 molecule when the charge is placed aligned (slightly off, to offset singularity in the potential) with the H2 nuclear axis.