Omega polynomial and its use in nanostructure description

Autor: Margareta Stela Florescu, Mircea V. Diudea, Simona Cigher, Aniela E. Vizitiu, Peter E. John
Rok vydání: 2008
Předmět:
Zdroj: Journal of Mathematical Chemistry. 45:316-329
ISSN: 1572-8897
0259-9791
DOI: 10.1007/s10910-008-9408-1
Popis: A new counting polynomial, called "Omega" �( G, x), was recently proposed by Diudea. It is defined on the ground of quasi-orthogonal cut "qoc" edge strips. Three topological descriptors: (1) CI (Cluj-Ilmenau), eventually equal to the well-known PI index, in planar, bipartite graphs; (2) I� -defined on all the normal- ized derivatives of the above polynomial and (3) the coefficient of the first power term, called n p are exemplified and used in nanostructures (e.g., fullerenes, nano- tubes and tori) description. Good ability of these descriptors in predicting the heat of formation and strain energy in small fullerenes or the resonance energy in planar benz- enoids was found. Omega polynomial is useful in describing the topology of tubular nanostructures.
Databáze: OpenAIRE
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