relationship between thermodynamic properties and topological indices of the monocarboxylic acids applications in qspr
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abstract
abstract. 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.
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Journal title:
iranian journal of mathematical chemistryPublisher: university of kashan
ISSN 2228-6489
volume 6
issue 1 2015
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