%0 Journal Article
%T Relationship between topological indices and thermodynamic properties and of the monocarboxylic acids applications in QSPR
%J Iranian Journal of Mathematical Chemistry
%I University of Kashan
%Z 2228-6489
%A Shafiei, F.
%D 2015
%\ 03/01/2015
%V 6
%N 1
%P 15-28
%! Relationship between topological indices and thermodynamic properties and of the monocarboxylic acids applications in QSPR
%K Topological indices
%K Graph theory
%K Monocarboxylic acid
%K QSPR
%R 10.22052/ijmc.2015.8944
%X Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. One of the useful indices for examination of structure- property relationship is Randic' index. In this study is represented the relationship between the Randic', Balaban and Szeged indices and Harary numbers to the enthalpies of combustion ( liquid), enthalpies of vaporization( gas), enthalpies of formation ( liquid) and enthalpies of sublimation ( ) of monocarboxylic acids (C2- C20) are established, and then, some useful topological indices for examination of the structure- property relationship are presented.
%U https://ijmc.kashanu.ac.ir/article_8944_42c0fe9fb5ea15ff42c016263779416c.pdf