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Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study

[Image: see text] In this work, two different classes of polyaromatic hydrocarbon (PAH) systems have been investigated in order to characterize the amount of polyradical character and to localize the specific regions of chemical reactivity: (a) the non-Kekulé triangular structures phenalenyl, triang...

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Bibliographic Details
Published in:J Phys Chem A
Main Authors: Das, Anita, Müller, Thomas, Plasser, Felix, Lischka, Hans
Format: Artigo
Language:Inglês
Published: American Chemical Society 2016
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4789636/
https://ncbi.nlm.nih.gov/pubmed/26859789
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.5b12393
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