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Bond Additive Modeling 2. Mathematical Properties of Max-min Rodeg Index

Damir Vukičević ; Faculty of Natural Sciences and Mathematics, University of Split, Nikole Tesle 12, HR-21000 Split, Croatia


Puni tekst: engleski pdf 1.883 Kb

str. 261-273

preuzimanja: 613

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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.

Ključne riječi

molecular descriptor, extremal values, extremal graphs, chemical graphs, unicyclic graphs, trees

Hrčak ID:

62203

URI

https://hrcak.srce.hr/62203

Posjeta: 1.145 *