Application of Graph Theory to Some Thermodynamic Properties and Topological Indices

Subject Areas : Journal of Physical & Theoretical Chemistry

H. Aghaie ¹ (Not-mentioned)
M. Monajjemi ² (Not-mentioned)
F. Shafiei ³ (Not-mentioned)

Received: 2015-05-03 Accepted : 2015-05-03 Published : 2015-05-03

Keywords: QSAR, QSPR, Topological indices, Alkanes, Graph theory, Molecular structure,

Abstract :

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

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Application of Graph Theory to Some Thermodynamic Properties and Topological Indices