Investigating Seidel energies and thermodynamic properties of benzenoid hydrocarbons through regression models

利用回归模型研究苯系烃的赛德尔能和热力学性质

阅读:1

Abstract

In this article, we present the concept of extended Seidel energy by employing a generalized extended matrix to study various molecular properties, including the Kovats retention index, boiling point, enthalpy of formation, entropy, acentric factor, and octanol-water partition coefficient. Our research broadens the scope of energy matrices in graph theory, with a particular emphasis on Sombor energy, reduced Sombor energy, average Sombor energy, Banhatti Sombor energy and reduced Banhatti Sombor energy. We examined the correlation of these graph-based energy descriptors with the thermodynamic properties of Benzenoid hydrocarbons (BHC), uncovering strong relationships between these indices and different molecular attributes. These results provide valuable insights into the predictive potential of graph energies in modeling the thermodynamic behavior of polycyclic aromatic hydrocarbons.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。