Bounds for reactivity indices |
| |
| Authors: | Ivan Gutman |
| |
| Institution: | (1) Institut für Quantenchemie, Freie Universität Berlin, Holbeinstr. 48, D-1000 Berlin, Germany;(2) Present address: Department of Chemistry, Faculty of Sciences, University of Kragujevac, 34000 Kragujevac, R. Domanovi a 12, Yugoslavia |
| |
| 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. |
| |
| Keywords: | Graph theory Free valence Localization energy Polarizability |
| 本文献已被 SpringerLink 等数据库收录！ |
|
