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https://scidar.kg.ac.rs/handle/123456789/11782| 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. |
| URI: | https://scidar.kg.ac.rs/handle/123456789/11782 |
| 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 |
 | Page views(s)472 | Downloads(s)15 |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| PaperMissing.pdf Restricted Access | 29.86 kB | Adobe PDF |  View/Open |
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