relationship between thermodynamic properties and topological indices of the monocarboxylic acids applications in qspr

نویسندگان

f. shafiei

چکیده

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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عنوان ژورنال:
iranian journal of mathematical chemistry

ناشر: university of kashan

ISSN 2228-6489

دوره 6

شماره 1 2015

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