Figure 5.
Contour plots of NOCV deformation densities Δρ and associated energies ΔE(ρ) (computed at the ZORA‐BP86‐D3/TZ2P//BP86‐D3/def2‐SVP level) in [(depe)2Fe(N2)] (a) and 6+ (b). Electron‐density charge flows in the direction red→blue.
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