Naslov
Comparison between the vertex- and edge-connectivity indices for benzenoid hydrocarbons

Autori
Nikolić, Sonja ; Trinajstić, Nenad ; Baučić, Ivo

Izvornik
Journal of chemical information and computer sciences (0095-2338) 38 (1998), 1; 42-46

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

Ključne riječi
adjacency relationships; volume

Sažetak
In this report we studied the relationship between the vertex-and edge-connectivity indices, and the relationship of both these indices and the st-electron energies for benzenoid hydrocarbons. We also presented the use of edge-connectivity indices in the structure-boiling point modeling for benzenoid hydrocarbons. The obtained structure-boiling point models are compared with the models based on the vertex-connectivity indices and the distance-dependent molecular descriptors. The best structure-boiling point model for benzenoids achieved here is the quadratic model based on the edge-connectivity indices whose statistical characteristics are comparable to the best model from the literature ; that is, Randic's model based on the multivariate regression analysis with the first-, second-, third-, and fourth-order geometric distance indices.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA