Croatica Chemica Acta, Vol. 68 No. 1, 1995.
Original scientific paper
A Class of Lower Bounds for Total 7t-Electron Energy of Alternant Conjugated Hydrocarbons
Ivan Gutman
; Institute of Physical Chemistry, Attila Jozsef University, p O. Box 105, H-6701 Szeged, Hungary
Abstract
For alternant hydrocarbons whose molecular graphs possess n vertices
and m edges Turker recently put forward a lower bound for total n-electron energy (E), namely (1/2) (2 m n)1/2 :$ E (*). The original proof of (*) contains an error. We propose an alternative method for proving (*), which applies to all molecular graphs, except perhaps to some containing very many four membered cycles. As a byproduct, a class of novel lower bounds for E is obtained.
Keywords
Hrčak ID:
176556
URI
Publication date:
1.2.1995.
Visits: 841 *