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Figure 2
Isosurface representations of the Laplacian of (a)–(c) the ED and (d)–(f) the ELI for three model compounds studied by Grabowsky et al. (2011BB40). Compound 1: propenal, 2: (E)-allylidenehydrazine and 3: acrylamide. The ELI conveys more immediate information about reactivity than the Laplacian of the ED. Reprinted with permission from Grabowsky et al. (2011BB40). Copyright (2011) American Chemical Society.

IUCrJ
Volume 1| Part 5| August 2014| Pages 267-280
ISSN: 2052-2525
doi:10.1107/S2052252514018570