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Figure 5
Map of ∇2ρ in the plane defined by O, P and Pi atoms. Negative values are represented by solid blue contours and the positive ones by dashed red lines; the zero contour is green. Red dots mark the location of bond-critical points. The contour values grow geometrically, the starting values are 0.001 or −0.001 and the ratio is 2.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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