On the relation between Zenkevich and Wiener indices of alkanes
A relatively complicated relation was found to exist between the quantity U recently introduced by Zenkevich (providing a measure of internal molecular energy), and the Wiener index W (measuring molecular surface area and intermolecular forces). We now report a detailed analysis of this relation and...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2004-01-01
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| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2004/0352-51390404265G.pdf |
| _version_ | 1818950006503112704 |
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| author | Gutman Ivan Furtula Boris Arsić Biljana Bošković Žarko |
| author_facet | Gutman Ivan Furtula Boris Arsić Biljana Bošković Žarko |
| author_sort | Gutman Ivan |
| collection | DOAJ |
| description | A relatively complicated relation was found to exist between the quantity U recently introduced by Zenkevich (providing a measure of internal molecular energy), and the Wiener index W (measuring molecular surface area and intermolecular forces). We now report a detailed analysis of this relation and show that, in the case of alkanes, its main features are reproduced by the formula U = –αW + β + γν1; where ν1 is the number of methyl groups, and α, β and γ are constants, depending only on the number of carbon atoms. Thus for isomeric alkanes with the same number of methyl groups, U and W are linearly correlated. |
| first_indexed | 2024-12-20T09:11:44Z |
| format | Article |
| id | doaj.art-53d37648d2514542a442c2d535f6a2dc |
| institution | Directory Open Access Journal |
| issn | 0352-5139 1820-7421 |
| language | English |
| last_indexed | 2024-12-20T09:11:44Z |
| publishDate | 2004-01-01 |
| publisher | Serbian Chemical Society |
| record_format | Article |
| series | Journal of the Serbian Chemical Society |
| spelling | doaj.art-53d37648d2514542a442c2d535f6a2dc2022-12-21T19:45:32ZengSerbian Chemical SocietyJournal of the Serbian Chemical Society0352-51391820-74212004-01-0169426527110.2298/JSC0404265G0352-51390404265GOn the relation between Zenkevich and Wiener indices of alkanesGutman Ivan0Furtula Boris1Arsić Biljana2Bošković Žarko3Faculty of Science, University of Kragujevac, P.O. Box 60, 34000 KragujevacFaculty of Science, University of Kragujevac, P.O. Box 60, 34000 KragujevacFaculty of Science, University of Niš, Višegradska 33, 18000 Niš, Serbia and MontenegroFaculty of Science, University of Niš, Višegradska 33, 18000 Niš, Serbia and MontenegroA relatively complicated relation was found to exist between the quantity U recently introduced by Zenkevich (providing a measure of internal molecular energy), and the Wiener index W (measuring molecular surface area and intermolecular forces). We now report a detailed analysis of this relation and show that, in the case of alkanes, its main features are reproduced by the formula U = –αW + β + γν1; where ν1 is the number of methyl groups, and α, β and γ are constants, depending only on the number of carbon atoms. Thus for isomeric alkanes with the same number of methyl groups, U and W are linearly correlated.http://www.doiserbia.nb.rs/img/doi/0352-5139/2004/0352-51390404265G.pdfzenkevich indexwiener indexalkanes |
| spellingShingle | Gutman Ivan Furtula Boris Arsić Biljana Bošković Žarko On the relation between Zenkevich and Wiener indices of alkanes Journal of the Serbian Chemical Society zenkevich index wiener index alkanes |
| title | On the relation between Zenkevich and Wiener indices of alkanes |
| title_full | On the relation between Zenkevich and Wiener indices of alkanes |
| title_fullStr | On the relation between Zenkevich and Wiener indices of alkanes |
| title_full_unstemmed | On the relation between Zenkevich and Wiener indices of alkanes |
| title_short | On the relation between Zenkevich and Wiener indices of alkanes |
| title_sort | on the relation between zenkevich and wiener indices of alkanes |
| topic | zenkevich index wiener index alkanes |
| url | http://www.doiserbia.nb.rs/img/doi/0352-5139/2004/0352-51390404265G.pdf |
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