view article
Figure 7
Electrostatic potentials (e Å−1) of (top) nucleobases in the studied crystals from experimental charge densities or (bottom) isolated nucleobases bearing formal charges as modelled by UBDB, mapped on the respective electron-density isosurfaces at ρ = 0.0135 e Å−3 (= 0.002 a.u.). Vav.+ is the average of the positive surface values and π is the average deviation from the average positive surface value (Politzer et al., 2001BB114).

IUCrJ
Volume 5| Part 4| July 2018| Pages 449-469
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518006346