Theoretica chimica acta

, Volume 47, Issue 3, pp 217–222 | Cite as

Bounds for reactivity indices

  • Ivan Gutman
Original Investigations

Abstract

Lower and upper bounds are derived for bond number, localization energy and atom self-polarizability of alternant hydrocarbons. It is proved that in acyclic polyenes the maximal bond number is 1, √2 and √3, respectively for primary, secondary and tertiary carbon atoms.

Key words

Graph theory Free valence Localization energy Polarizability 

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Copyright information

© Springer-Verlag 1978

Authors and Affiliations

  • Ivan Gutman
    • 1
  1. 1.Institut für Quantenchemie, Freie Universität BerlinBerlinGermany

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