Naslov
Clar polynomials of large benzenoid systems

Autori
Randić, Milan ; El-Basil, Sherif ; Nikolić, Sonja ; Trinajstić, Nenad

Izvornik
Journal of Chemical Information & Computer Sciences (0095-2338) 38 (1998), 5; 563-574

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Polycyclic aromatic-hydrocarbons; Diffuse interstellar bands; Resonance energies; Graph; Spectroscopy; Conjugation

Sažetak
We discuss the constructions of Clar-like valence structures and the associated Clar polynomials for large benzenoids. We have shown that Clar polynomial satisfy a theorem analogous to the Clarke's theorem for the characteristic polynomial of graphs, which allows one to reconstruct the polynomial of a system from the polynomials associated with qualified substructures. In the case of Clar's polynomial the substructures are obtained by deleting individual benzene rings from the considered benzenoid, one at a time. This property of Clar polynomial allows one to construct the polynomial of larger systems from known Clar's polynomials of smaller benzenoids.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA