On applicability of the Wiener index to estimate relative stabilities of the higher-fullerene IPR isomers

摘要

The Wiener index is tested as a possible measure of the relative -stability order for the isolated-pentagon-rule (IPR) isomers of higher fullerens. The quotient works very well for the C_80 IPR set (and is superior to the topological HOMO-LUMO gap). The Harary index produces a Comparable correlation. The Wiener index, however, does not produce a good stability correlation For the IPR sets of C_84 and C_86.