On a new decomposition of the Hosoya matrix Z: some theoretical and practical aspects (CROSBI ID 472941)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Espeso, Garcia Vicente ; Molins Vara, Jose Javier ; Roy Lazaro, Beatriz ; Riera Parcerisas, Felix ; Plavšić, Dejan
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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Podaci o prilogu
66-66-x.
2000.
objavljeno
Podaci o matičnoj publikaciji
Graovac, Ante ; Plavšić, Dejan ; Pokrić, Biserka ; Smrečki, Vilko
Zagreb: Institut Ruđer Bošković
Podaci o skupu
MATH/CHEM/COMP 2000, The 15th Dubrovnik International Course & Conference on the Interfaces Among Mathematics, Chemistry and Computer Sciences
poster
19.06.2000-24.06.2000
Dubrovnik, Hrvatska