Naslov
Resistance-distance matrix: A computational algorithm and its application

Autori
Babić, Darko ; Klein, Douglas, J. ; Lukovits, Istvan ; Nikolić, Sonja ; Trinajstić, Nenad

Izvornik
International Journal of Quantum Chemistry (0020-7608) 90 (2002), 1; 166-176

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

Ključne riječi
Cyclicity ; Distance matrix ; Distance-related indices ; Kirchhoff index. Kirchhoff-sum index. Resistance-distance matrix. Resistance-distance-related indices ; Quotient matrices

Sažetak
The distance matrix D, the resistance-distance matrix SOmega, the related quotient matrices D/Omega and Omega/D and the corresponding distance- related and resistance-distance-related descriptors: the Wiener index W, the Balaban indices J and JOmega, the Kirchhoff index Kf, the Wiener-sum index WS, and Kirchhoff-sum index KfS are presented. A simple algorithm for computing the resistance-distance matrix is outlined. The distance-related and the resistance-distance-related indices are used to study cyclicity in four classes of polycyclic graphs: five-vertex graphs containing a five-cycle and Schlegel graphs representing platonic solids, buckminsterfullerene isomers and C-70 isomers. Among the considered indices only the Kirchhoff index correctly ranks according to their cyclicity the Schlegel graphs for platonic solids, C-60 isomers, and C70 isomers. The Kirchhoff index further produces the reverse order of five-vertex graphs containing a five-cycle (which could be simply altered to the correct order by adding a minus sign to the Kirchhoff indices for these graphs).

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA