论文信息 - Topological efficiency of C66 fullerene

Topological efficiency of C66 fullerene

Abstract A novel method for the topological determination of the relative stability of the C 66 isomers is proposed in this Letter. Among 4478 distinct isomers of the C 66 fullerene, the joint actions of topological compactness (Wiener index) and topological efficiency index correctly sieve the C 66 – C 2 v molecule detected in Sc 2 @C 66 endoclusters. This elegant and fast computational method is suggested to be applicable to any C n fullerene or graphenic lattice.

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