Upper Bound for Total π-Electron Energy of Benzenoid Hydrocarbons
Open Access
- 1 November 1985
- journal article
- research article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 40 (11) , 1167-1168
- https://doi.org/10.1515/zna-1985-1117
Abstract
A novel upper bound for the π-electron energy (Eπ) is described. The formula, valid for benzenoid hydrocarbons yields values closer to the true Eπ than the McClelland's or even Gutman's estimates.Keywords
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