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Title: Total π-electron and HOMO energy
Authors: Gutman I.
Radenkovic, Slavko
Đorđević, Slađana
Milovanović I.
Milovanovíc E.
Issue Date: 2016
Abstract: © 2016 Elsevier B.V. All rights reserved. A relation is obtained between the total π-electron energy Eπ and the HOMO energy EHOMO, valid within the HMO approximation. This seems to be the very first relation between Eπ and EHOMO ever established. It enables a much more accurate assessment of Eπ of alternant conjugated hydrocarbons than that based on McClelland's formula and on other (n, m)-type approximate expressions.
Type: article
DOI: 10.1016/j.cplett.2016.02.051
ISSN: 0009-2614
SCOPUS: 2-s2.0-84962311822
Appears in Collections:Faculty of Science, Kragujevac

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