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Hosoya matrices as the numerical realization of graphical matrices and derived structural descriptors

Janezić, Dušanka; Lučić, Bono; Miličević, Ante; Nikolić, Sonja; Trinajstić, Nenad; Vukičević, Damir (2007) Hosoya matrices as the numerical realization of graphical matrices and derived structural descriptors. Croatica Chemica Acta, 80 (2). pp. 271-276. ISSN 0011-1643

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Abstract

Graphical matrices are used to generate the Hosoya matrices which in turn produce the Hosoya-Wiener indices. The computer program to generate graphical matrices of acyclic structures, the corresponding numerical matrices and double invariants is delineated.

Item Type: Article
Uncontrolled Keywords: alkanes; computer program; double invariants; graphical matrices; Hosoya matrices; Hosoya-Wiener indices; numerical matrices; trees; molecular descriptors
Subjects: NATURAL SCIENCES > Chemistry
Divisions: Division for Marine and Enviromental Research
Division of Physical Chemistry
NMR Center
Projects:
Project titleProject leaderProject codeProject type
Razvoj metoda za modeliranje svojstava bioaktivnih molekula i proteina[184293] Bono Lučić098-1770495-2919MZOS
Razvoj modela za procjenu vrijednosti konstanti stabilnosti[82885] Nenad Raos022-1770495-2901MZOS
Diskretni matematički modeli u kemiji[256631] Damir Vukičević177-0000000-0884MZOS
Diskretna matematika i primjene[45724] Dragutin Svrtan037-0000000-2779MZOS
Depositing User: Nenad Trinajstić
Date Deposited: 09 Oct 2013 11:15
Last Modified: 06 Feb 2014 12:51
URI: http://fulir.irb.hr/id/eprint/743

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