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Figure 1
Electrostatic potential (e Å−1) of the static charge density of DL-serine, derived by XDPROP (Volkov et al., 2006BB36) from the multipole model AH(20), and mapped on the static electron density isosurface at 0.5 e Å−3. (a) ESP for a single molecule. (b) ESP for a cluster of 3×3×3 unit cells. The central unit cell is shown. The single molecule in (a) corresponds to the molecule in the lower-right corner of the unit cell in (b).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 50| Part 6| December 2017| Pages 1627-1636
https://doi.org/10.1107/S1600576717013802
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