On a class of approximate formulas for total ח-electron energy of benzenoid hydrocarbons
Gutman Ivan, Soldatović Tanja
Journal of the Serbian Chemical Society · 2001
doi:10.2298/jsc0102101g (opens in a new tab)
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Abstract
The method for obtaining approximate formulas of the (n, m)-type for the total -electron energy of benzenoid hydrocarbons (communicated in J. Serb. Chem. Soc. 54 (1989) 189) is simplified and extended so as to include arbitrary spectral moments. The accuracy of the formulas thus obtained is very good and these need no additional fitting by means of empirically determined parameters.
Abstract licence: CC BY
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