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Royal Society of Chemistry, Chemical Science, 39(12), p. 13092-13100, 2021

DOI: 10.1039/d1sc03368a

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Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

Journal article published in 2021 by Albert Artigas ORCID, Denis Hagebaum-Reignier ORCID, Yannick Carissan ORCID, Yoann Coquerel ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Electron delocalization in contorted polycyclic aromatic hydrocarbon (PAH) molecules was examined through 3D isotropic magnetic shielding (IMS) contour maps built around the molecules using pseudo-van der Waals surfaces.