engleski

On a new decomposition of the Hosoya matrix Z: some theoretical and practical aspects

The decomposition of the Hosoya Z matrix into the sum of k_Z matrices, k=1,2,...., is proposed. The k_Z matrix is based on the independent sets of k edges in the spanning subgraphs generated in the construction of the Z matrix. The Hosoya hyperindex H and a set of molecular descriptors k_Z defined as the sum of all off-diagonal entries in the upper triangle of the Z matrix and the corresponding k_Z matrices, respectively, are put forward. The ability of the new molecular descriptors to model the boiling points of octanes and nonanes is investigated.

molecular descriptor; Hosoya matrix Z; decomposition

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