Naslov
Bond Additive Modeling 2. Mathematical properties of Max-min rodeg index

Autori
Vukičević, Damir

Izvornik
Croatica chemica acta (0011-1643) 83 (2010), 3; 261-273

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

Ključne riječi
molecular descriptor; extremal values; extremal graphs; chemical graphs; unicyclic graphs; trees

Sažetak
Recently, set of 148 discrete Adriatic indices has been defined. One of these indices is Max-min rodeg index. It is a good predictor of enthalpy of vaporization for octane isomers. It is also good predictor of standard enthalpy of vaporization for octane isomers and it has been shown that it is a good predictor of log water activity coefficient for polychlorobiphenyls. Tight mathematical bounds (expressed as the functions of the number of vertices) are analyzed for the following classes of graphs: connected graphs, trees, unicyclic graphs, chemical graphs, chemical trees, chemical unicyclic graphs and trees with prescribed number of pendant vertices. Further, we analyze maximal value of this index for graphs with maximal degree Δ and minimal value of this index for graphs with minimal degree δ. Also, we propose a series of open problems regarding mathematical properties of discrete Adriatic indices that have shown good predictive properties.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

POVEZANOST RADA