Abstract

If λ1 >λ2 ≥λ3 ≥ · · · ≥λn are the eigenvalues of the molecular graph, then the Estrada index, a recently conceived molecular structure-descriptor is EE = nΣ i=1eλi . The same alkanes, whose molecular graphs have extremal Wiener indices and λ1, are shown to be also extremal with regard to the Estrada index.

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