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Model calculations of the interaction of two parallel antiaromatic 4n π-electron systems

The nature of the interaction between decks of a pentalene dimer and an s-indacene dimer has been studied by semi-empirical MNDO/1 and MINDO/3 calculations for distances between decks of from 5 Å to 2 Å. In contradiction to qualitative predictions from a frontier orbital analysis, it is found that t...

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Détails bibliographiques
Auteurs principaux: Böhm, Michael C., Bickert, Peter, Hafner, Klaus, Boekelheide, V.
Format: Artigo
Langue:Inglês
Publié: 1984
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC345111/
https://ncbi.nlm.nih.gov/pubmed/16593458
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