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Figure 9
Visualization of the C3H7NO2 molecule iso-density surface with the reference electrostatic potential mapped onto it. Iso-density surface values are (a) 0.1 a.u. (surface positive electrostatic potential values truncated to 405 kcal mol−1 e−1), (b) 0.05 a.u., (c) 0.01 a.u., (d) 0.001 a.u. and (e) 0.0001 a.u.. The range of electrostatic potential values is from −90 to 405 kcal mol−1 e−1. Vs,max, Vs,min and [{\overline V}_{\rm s}] denote the maximum, minimum and average electrostatic potential values on a given surface, respectively.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 6| December 2024| Pages 1884-1895
https://doi.org/10.1107/S1600576724009841
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