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. 2020 Mar 5;11:1210. doi: 10.1038/s41467-020-15039-9

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© The Author(s) 2020

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 1 — a Voronoi site for the RHF/6-31G(d) wavefunction. The electron positions of an arbitrary spin are shown as small yellow spheres. b Cross sections through the wavefunction around the Voronoi site in a C–C bonding electrons are shown as blue lobes. C–H bonds are shown in grey. c. Voronoi site showing staggered spins. The electron positions of each spin are respectively shown as small yellow and green spheres. d. Cross sections around the Voronoi site in c. The two spins of the C–C bonding electrons are shown in blue and red. C–H bonds are shown in grey.