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Figure 4
Laplacian distribution L(r) ≃ −∇2ρ(r) in the N1—O1—Ni1 plane: (a) from the experimental study and (b) from the DFT calculation on the [Ni(L3H)]2+ cation. Contours are drawn at −1.0 × 10−3, ±2.0 × 10n, ±4 × 10n, ±8 × 10n (n = −3, −2, −1, 0, +1, +2) e Å−5, with positive contours drawn with a full line and negative contours with a broken line.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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