DESCRIPTION OF CYCLIC AND BRANCHED-ACYCLIC HYDROCARBONS BY VARIANTS OF THE HYPER-WIENER INDEX

Citation
W. Linert et al., DESCRIPTION OF CYCLIC AND BRANCHED-ACYCLIC HYDROCARBONS BY VARIANTS OF THE HYPER-WIENER INDEX, Journal of molecular structure. Theochem, 337(2), 1995, pp. 121-127
Citations number
12
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
337
Issue
2
Year of publication
1995
Pages
121 - 127
Database
ISI
SICI code
0166-1280(1995)337:2<121:DOCABH>2.0.ZU;2-O
Abstract
The hyper-Wiener index R was originally defined for acyclic structures . Four different techniques have been proposed so far in order to exte nd this definition for cycle-containing structures. A computational me thod for the ''delete path'' version of R is presented for molecules c ontaining a single cycle and a side branch. Formulas for simple cycles are derived for the ''delete path'' and for the ''count path'' versio ns of R. The variants of the hyper-Wiener number are compared with res pect to their use in quantitative structure-property relationships.