GRAPH DISSECTION REVISITED. APPLICATION TO SMALLER ALIKANES

Milan Randiæ,a, b  Xiaofeng Guo,a, c and Paula Calkinsa
a Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa 50311, USA;
b National Institute of Chemistry, Hajdrihova 19, P. O. Box 3430, Ljubljana, Slovenia
c Institute of Mathematics and Physics, Xinjiang University, Wulumuqi Xinjiang 830046, P. R. China
 

ABSTRACT

Dissection of graphs was outlined twenty years ago as a scheme to arrive at an integer characterization of graphs. The approach, which raises some mathematical questions as well as it offers novel structural descriptors of potential interest in structure-property studies, was apparently overlooked. In this contribution we have re-examined graph dissection,  we corrected some errors in the earlier publications, and illustrate use of novel descriptors derived through the dissection process in structure-property correlation for selected properties of octane isomers