 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 1]](es5058fig1mag.jpg)
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Figure 1
(a) Theoretical 1-RDM along the path O=C—N—H within urea with the upper matrix representing the isolated molecule and the lower matrix showing periodic ab initio data. (b) The upper matrix depicts the 1-RDM refined using X-ray structure factors alone, determined at 0 K, whereas the lower matrix incorporates noisy directional Compton scattering data along with structure factors obtained at 52 K. Positive contours are solid in the blue regions while negative ones are dotted in red regions with step size = 0.01 × 2n, n = 0, 1, 2, … |
![[Figure 1]](es5058fig1.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
