A CLASS OF LOWER BOUNDS FOR TOTAL PI-ELECTRON ENERGY OF ALTERNANT CONJUGATED HYDROCARBONS

Authors
Citation
I. Gutman, A CLASS OF LOWER BOUNDS FOR TOTAL PI-ELECTRON ENERGY OF ALTERNANT CONJUGATED HYDROCARBONS, Croatica chemica acta, 68(1), 1995, pp. 187-192
Citations number
13
Categorie Soggetti
Chemistry
Journal title
ISSN journal
00111643
Volume
68
Issue
1
Year of publication
1995
Pages
187 - 192
Database
ISI
SICI code
0011-1643(1995)68:1<187:ACOLBF>2.0.ZU;2-X
Abstract
For alternant hydrocarbons whose molecular graphs possess n vertices a nd m edges Turker recently put forward a lower bound for total pi-elec tron energy (E), namely (1/2) (2 m n)(1/2) less than or equal to E () . The original proof of () contains an error. We propose an alternati ve method for proving (), which applies to all molecular graphs, exce pt perhaps to some containing very many four-membered cycles. As a byp roduct, a class of novel lower bounds for E is obtained.