The iterated line graph sequence L i , i=1,2,..., of a graph G is defined so that L 1 is the line graph of G, L 2 is the line graph of L 1 , etc. Let G be a molecular graph possessing m 0 edges and let m i be the number of edges of L i , i=1,2,.... We examine the applicability of the linear model a 0 m i0 +a 1 m i1 + +a 2 m i2 +...+a k m ik +b for predicting physico-chemical properties of alkanes (boiling points, molar volumes, molar refractions, heats of vaporization, critical temperatures, critical pressures and surface tensions). For all properties studied, the optimal model has k=2, i 0 =0, i 1 =1, but i 2 varies between 2 and 4.
|Number of pages||7|
|Journal||ACH - Models in Chemistry|
|Publication status||Published - 1 Jan 2000|