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AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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The STUDIA UNIVERSITATIS BABEŞ-BOLYAI issue article summary The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name. |
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STUDIA CHEMIA - Issue no. 4, Tom I / 2017 | |||||||
Article: |
THE INFLUENCE OF AZA-SUBSTITUTION ON THE AROMATICITY OF SUMANENE. Authors: MIHAI MEDELEANU, RALUCA POP, MIHAIELA ANDONI, MIRCEA V. DIUDEA. |
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Abstract: The influence of aza-substitution on sumanene and C52 fullerene was investigated. Various substitution patterns, derived for the structures of pyrrole, indolizine and pyridine have been proposed and aromaticity indices like HOMA, NICS, delocalization indices PDI and FLU were considered, at B3LYP/6-311 G(d) level of theory. The results outlined an enhanced aromatic character for the sumanene derivatives where similar aza-substitution patterns as encountered in pyrrole and indolizine have been considered. Keywords: sumanene, fullerene, aromaticity, aza-substitution |
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