Comparison between the vertex- and edge-connectivity indices for benzenoid hydrocarbons (CROSBI ID 80858)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Nikolić, Sonja ; Trinajstić, Nenad ; Baučić, Ivo
engleski
Comparison between the vertex- and edge-connectivity indices for benzenoid hydrocarbons
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.
adjacency relationships; volume
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