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. 2020 Oct 13;26(62):14211–14220. doi: 10.1002/chem.202003064

Figure 3.

Figure 3

The shape of the deformation densities Δρ (1)–(5) that correspond to ΔE orb(1)–(5), and the associated MOs of (NHCMe)2C3 and the fragments orbitals of [(NHCMe)2]+ and [C3] in the doublet state at the BP86‐D3(BJ)/TZ2P level. Isosurface values are 0.003 au. The eigenvalues |νn| give the size of the charge migration in e. The direction of the charge flow of the deformation densities is red→blue.