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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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Bibliografische gegevens
Gepubliceerd in:J Phys Chem A
Hoofdauteurs: Das, Anita, Müller, Thomas, Plasser, Felix, Lischka, Hans
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: American Chemical Society 2016
Online toegang: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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