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Figure 6
Orbital-averaged XRW perturbation potentials resulting from XRW calculations on urea with experimental X-ray diffraction data. The potentials are represented as graphs with isolines in the plane of the urea molecule in its planar in-crystal geometry for different values of [{\lambda _{\rm J}}]: (A) 0.025, (B) 0.050, (C) 0.075, (D) 0.100 and (E) 0.121. The isocontours extend from −0.5 Eh to 0.3 Eh, with intervals of 0.025 Eh. Negative and positive isocontours are represented in blue and red, respectively, while the isocontour corresponding to 0.0 Eh is distinguished by a thicker blue line.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1106-1121
https://doi.org/10.1107/S1600576725004765
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