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. 2017 Jul 5;139(30):10461–10471. doi: 10.1021/jacs.7b05386

Figure 11.

Figure 11

(a–d) The change in bond lengths between porphyrin oligomer radical cations and their neutral precursors Δr = rcationrneutral. (e–h) Gas phase spin density isosurfaces at isovalue 0.001 a.u. Calculations performed at the LC-ωPBE/6-31G* level of theory, ω = 0.2 a0–1. The colors in the spin density plots do not relate to those in parts a–d.