Application of Graph Theory to Some Thermodynamic Properties and Topological Indices
محورهای موضوعی : Journal of Physical & Theoretical Chemistry
H. Aghaie
1
(Not-mentioned)
M. Monajjemi
2
(Not-mentioned)
F. Shafiei
3
(Not-mentioned)
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