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Figure 2
Different representations of bonding in ammonia; grid files defined with lamaGOET and calculated with Tonto. (a) Deformation density, isosurface at 0.016 e Å[{}^{-3}], purple = positive, turquoise = negative. (b) Negative Laplacian of the electron density, isosurface at 35.7 e Å[{}^{-5}], blue = positive, red = negative. (c) Becke88 exchange-correlation potential at 0.75 Hartree e−1. Graphics produced with the software GaussView (Dennington et al., 2008BB15).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 3| June 2021| Pages 987-995
https://doi.org/10.1107/S1600576721002545
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