Croatica Chemica Acta, Vol. 51 No. 4, 1978.
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
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
Publication date:
8.2.1979.
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