Figure 6.
NCI surface (isovalue 0.5 au and a color scale −0.1 < sign(λ2)ρ < 0.1 au) of the zwitterion structure (I2OH) for the OH– pathway.
NCI surface (isovalue 0.5 au and a color scale −0.1 < sign(λ2)ρ < 0.1 au) of the zwitterion structure (I2OH) for the OH– pathway.