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Figure 5
Deformation density contour map in a plane including the O—C—O bonding. Contours at intervals of ±0.01 × 2n a.u.−3(n = 0–20): positive and negative contours are blue solid lines and red dashed lines, respectively. Left: inferred from position and momentum expectation values. Right: periodic ab initio computation.

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ISSN: 2053-2733
Volume 76| Part 1| January 2020| Pages 1-6
https://doi.org/10.1107/S2053273319015870
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