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Chemical Physics LettersVolume 349, Issue 1-2, 23 November 2001, Pages 95-98

A concealed property of total π -electron energy(Article)

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  • Faculty of Science, Univ. Kragujevac, P.O. Box 60, Y., Kragujevac, Yugoslavia

Abstract

In the theory of total π-electron energy (E) an auxiliary quantity is defined via γ*=[n(2mn-E2)]/[2m(2m+n-2E)], where n and m denote the number of vertices and edges of the molecular graph. Within classes of structurally similar conjugated systems a very good linear correlation between γ* and n is observed, apparently contradicting to the way in which γ* (by definition) depends on n,m,E. We now establish the condition which E must satisfy, in order that γ* be a linear function of n: the condition for an exact linear relation between γ* and n is E=m.

  • ISSN: 00092614
  • CODEN: CHPLB
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1016/S0009-2614(01)01111-3
  • Document Type: Article

  Gutman, I.; Faculty of Science, Univ. Kragujevac, P.O. Box 60, Y., Yugoslavia;
© Copyright 2005 Elsevier B.V., All rights reserved.

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