https://doi.org/10.1140/epjp/s13360-022-02431-1
Regular Article
On some topological indices and their importance in chemical sciences: a comparative study
1
Department of Mathematics, National Institute of Technology, Durgapur, India
2
Department of Mathematics, Tehatta Sadananda Mahavidyalaya, Tehatta, India
Received:
7
January
2022
Accepted:
28
January
2022
Published online:
3
February
2022
In this paper, we mainly focused on some well-known degree-based topological indices. How they can help in QSPR studies is the main objective behind this study. We tested their predictive ability of some physicochemical properties of polycyclic aromatic hydrocarbons. With the help of this study, we predicted boiling point, entropy, acentric factor, octanol-water partition coefficient, enthalpy of formation and Kovats retention index of some benzenoid hydrocarbons.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2022
