Total π-electron and HOMO energy

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Назив:	Total π-electron and HOMO energy
Аутори:	Gutman I. Radenkovic, Slavko Đorđević, Slađana Milovanović I. Milovanovíc E.
Датум издавања:	2016
Сажетак:	© 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.
URI:	https://scidar.kg.ac.rs/handle/123456789/11782
Тип:	article
DOI:	10.1016/j.cplett.2016.02.051
ISSN:	0009-2614
SCOPUS:	2-s2.0-84962311822
Налази се у колекцијама:	Faculty of Science, Kragujevac