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 title Project leader Project code Project type Razvoj metoda za modeliranje svojstava bioaktivnih molekula i proteina [184293] Bono Lučić 098-1770495-2919 MZOS Razvoj modela za procjenu vrijednosti konstanti stabilnosti [82885] Nenad Raos 022-1770495-2901 MZOS Diskretni matematički modeli u kemiji [256631] Damir Vukičević 177-0000000-0884 MZOS Diskretna matematika i primjene [45724] Dragutin Svrtan 037-0000000-2779 MZOS
Depositing User:	Nenad Trinajstić
Date Deposited:	09 Oct 2013 11:15
URI:	http://fulir.irb.hr/id/eprint/743

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