Total π-electron energy and Laplacian energy: How far the analogy goes?
The Laplacian energy LE is a newly introduced molecular-graph-based analog of the total π-electron energy E. It is shown that LE and E have a similar structure-dependency only when molecules of different sizes are compared, when a good linear correlation between them exists. Within classes of isomer...
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Serbian Chemical Society
2007-01-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2007/0352-51390712343R.pdf |
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doaj-d2e5a714645f4c7c891291b8b72e11de2020-12-24T14:33:13ZengSerbian Chemical Society Journal of the Serbian Chemical Society0352-51391820-74212007-01-0172121343135010.2298/JSC0712343R0352-51390712343RTotal π-electron energy and Laplacian energy: How far the analogy goes?Radenković Slavko0Gutman Ivan1Prirodno-matematički fakultet, KragujevacPrirodno-matematički fakultet, KragujevacThe Laplacian energy LE is a newly introduced molecular-graph-based analog of the total π-electron energy E. It is shown that LE and E have a similar structure-dependency only when molecules of different sizes are compared, when a good linear correlation between them exists. Within classes of isomers, LE and E are either not correlated at all or (as in the case of acyclic systems) are inversely proportional. The acyclic graphs and molecular graphs having the greatest and smallest LE values (determined in this work) differ significantly from those (previously known) having the greatest and smallest E values.http://www.doiserbia.nb.rs/img/doi/0352-5139/2007/0352-51390712343R.pdflaplacian energygraph energytotal π-electron energy |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Radenković Slavko Gutman Ivan |
| spellingShingle |
Radenković Slavko Gutman Ivan Total π-electron energy and Laplacian energy: How far the analogy goes? Journal of the Serbian Chemical Society laplacian energy graph energy total π-electron energy |
| author_facet |
Radenković Slavko Gutman Ivan |
| author_sort |
Radenković Slavko |
| title |
Total π-electron energy and Laplacian energy: How far the analogy goes? |
| title_short |
Total π-electron energy and Laplacian energy: How far the analogy goes? |
| title_full |
Total π-electron energy and Laplacian energy: How far the analogy goes? |
| title_fullStr |
Total π-electron energy and Laplacian energy: How far the analogy goes? |
| title_full_unstemmed |
Total π-electron energy and Laplacian energy: How far the analogy goes? |
| title_sort |
total π-electron energy and laplacian energy: how far the analogy goes? |
| publisher |
Serbian Chemical Society |
| series |
Journal of the Serbian Chemical Society |
| issn |
0352-5139 1820-7421 |
| publishDate |
2007-01-01 |
| description |
The Laplacian energy LE is a newly introduced molecular-graph-based analog of the total π-electron energy E. It is shown that LE and E have a similar structure-dependency only when molecules of different sizes are compared, when a good linear correlation between them exists. Within classes of isomers, LE and E are either not correlated at all or (as in the case of acyclic systems) are inversely proportional. The acyclic graphs and molecular graphs having the greatest and smallest LE values (determined in this work) differ significantly from those (previously known) having the greatest and smallest E values. |
| topic |
laplacian energy graph energy total π-electron energy |
| url |
http://www.doiserbia.nb.rs/img/doi/0352-5139/2007/0352-51390712343R.pdf |
| work_keys_str_mv |
AT radenkovicslavko totalpelectronenergyandlaplacianenergyhowfartheanalogygoes AT gutmanivan totalpelectronenergyandlaplacianenergyhowfartheanalogygoes |
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1724371700228816896 |