engleski

Topological efficiency of C66 fullerene

A novel method for topological determination of relative stabilities of C66 isomers is proposed. Among 4478 distinct isomers of C66 fullerene, the joint actions of topological compactness (Wiener index) and topological efficiency index correctly sieve the C66:C2v molecule detected in Sc2@C66 endocluster. This elegant and fast computational method is suggested to be applicable to any C2n fullerene or graphene fragment.

C66 isomers ; relative stabilities ; Wiener index ; topological efficiency index

nije evidentirano