Application of Graph Theory to Some Thermodynamic Properties and Topological Indices

محورهای موضوعی : Journal of Physical & Theoretical Chemistry

H. Aghaie ¹ , M. Monajjemi ² , F. Shafiei ³

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تاریخ دریافت : 1394/02/13 تاریخ پذیرش : 1394/02/13 تاریخ انتشار : 1394/02/13

کلید واژه: QSAR, QSPR, Topological indices, Alkanes, Graph theory, Molecular structure,

چکیده مقاله :

The relationship between the Randic , Wiener, Hosoya , Balaban, Schultz indices, Harary numbers andDistance matrix to enthalpies of formation (Airf), heat capacity, (Cp) , enthalpies of combustion (AH °c ),enthalpy of vaporization (AH °vap) and normal boiling points (bpK)of C2 C10 normal alkanes isrepresented