Skip to the main content

Original scientific paper

Bounds for Huckel Total n-Electron Energy

I. Gutman ; Faculty of Sciences, University of Kragujevac, P.O. Box 60, 34000 Kragujevac, Yugoslavia


Full text: english pdf 3.195 Kb

page 299-306

downloads: 198

cite


Abstract

Various lower and upper bounds (eqs 9, 15, 16, 26, 27, 28,
34, 40 and 41 are obtained for the Hiickel total it-electron energy.
There exists a rather accurate linear correlation between the bounds
16 and 26 and the Hiickel total it-electron energy (eqs 31 and 32, correlation
coefficients 0.9995).

Keywords

Hrčak ID:

195934

URI

https://hrcak.srce.hr/195934

Publication date:

8.2.1979.

Visits: 634 *