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Figure 13
Isosurfaces of the fermionic potential φf(r) at −0.05 a.u. (blue) and 0.1 a.u. (orange) of the free hydrogen-bonded, π-stacked dimer of 1,3-bis­(2-hy­droxy­ethyl)-6-methyl­uracil, calculated around the labeled atoms using the wavefunction. BCPs for the interactions N3′⋯C5 and N1′⋯O4 are shown as magenta spheres and the associated bond paths are shown as thin lines.

IUCrJ
Volume 10| Part 5| September 2023| Pages 584-602
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523007108