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. 2021 Mar 16;27(23):6936–6944. doi: 10.1002/chem.202004041

Figure 7.

Figure 7

The plot of the Laplacian of the electron density, ∇2ρ(r) at the M‐Fe‐C plane of [M{Fe(CO)5}2]+ (M=Cu, Ag, Au) complexes at the BP86‐D3(BJ)/def2‐TZVPP/x2C‐TZVPall//BP86‐D3(BJ)/def2‐TZVPP level. The values for ∇2ρ(rc) and H(r c) are given at the BCP of M−Fe.