Omega Polynomial and its Use in Nanostructures Description

Mircea V. Diudea 1Simona Cigher Aniela E. Vizitiu Margareta S. Florescu Peter E. John 

1. Babes-Bolyai University, Arany Janos 11, Cluj-Napoca 400028, Romania


In this talk a new counting polynomial [1], called "Omega", is presented. It was recently defined by Diudea, on the ground of quasi-orthogonal cut "qoc" edge stripes [2, 3]. Three topological descriptors: (1) CI (Cluj-Ilmenau), eventually equal to the well-known PI index, in planar, bipartite graphs; (2) - defined on all the normalized derivatives of the above polynomial and (3) the coefficient of the first power term, called np are exemplified and used in nanostructures (e.g., fullerenes, nanotubes 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 benzenoids was found [4, 5]. Omega polynomial is useful in describing the topology of tubular nanostructures [6].

[1] M. V. Diudea, Omega Polynomial, Carpath. J. Math. 2005 (accepted).

[2] P. E. John, A. E. Vizitiu, S. Cigher, M. V. Diudea, CI Index in Tubular Nanostructures, MATCH Commun. Math. Comput. Chem. 2006 (accepted).

[3] M. V. Diudea, S. Cigher, A. E. Vizitiu, O. Ursu, P. E. John, Omega Polynomial in Tubular Nanostructures, Croat. Chem. Acta 2006 (accepted).

[4] E. Vizitiu, M. V. Diudea, Correlating ability of descriptors derived from the Omega polynomial, Studia Univ. Babes-Bolyai 2006 (accepted).

[5] S. Cigher, A. E. Vizitiu and M. V. Diudea, Omega polynomial and derived descriptors, J. Chem. Inf. Model. 2006 (submitted).

[6] A. E. Vizitiu, S. Cigher, M. V. Diudea, M. S. Florescu, Omega Polynomial in ((4,8)3) tubular nanostructures, MATCHCommun. Math. Comput. Chem. 2006 (accepted).

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Presentation: oral at 18th Conference on Physical Organic Chemistry, Symposium 2, by Mircea V. Diudea
See On-line Journal of 18th Conference on Physical Organic Chemistry

Submitted: 2006-05-17 13:32
Revised:   2009-06-07 00:44
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