Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/10471
Title: On induced current density in the perylene/bisanthrene homologous series
Authors: Radenkovic, Slavko
Bultinck P.
Gutman I.
Đurđević Nikolić, Jelena
Issue Date: 2012
Abstract: Induced current densities, calculated at the coupled HF level of theory, using the CTOCD-DZ method, are studied in the homologous series of benzenoid hydrocarbons whose first members are perylene, bisanthrene, and tetrabenzo[bc,ef,kl,no]coronene. In the first three members of this series, current density is in good agreement with the predictions of a recently proposed Kekulé-structure-based model (M. Randić, Chem. Phys. Lett. 500 (2010) 123). In higher members, the current density significantly deviates from this model. © 2012 Elsevier B.V. All rights reserved.
URI: https://scidar.kg.ac.rs/handle/123456789/10471
Type: article
DOI: 10.1016/j.cplett.2012.09.055
ISSN: 0009-2614
SCOPUS: 2-s2.0-84868198906
Appears in Collections:Faculty of Science, Kragujevac

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