Akademik Veri Yönetim Sistemi
MATI, cilt.5, sa.2, ss.29-46, 2023 (Hakemli Dergi)
Topological indices are precise chemical descriptors that are highly useful in connecting molecules to
their physical properties. They were discovered by using graph-theoretical techniques. In order to create
cycloarenes, a subclass of polycyclic aromatic hydrocarbons, benzene rings must be arranged in a
circular pattern. These molecules have recently received a lot of attention due to their unusual electrical
characteristics and pore structure, which enable their immediate practical use. In this study, we develop
analytical formulations for different R, S, and Van indices of the rectangular hexagonal cycloarene
structure. The validity of these indexes is then supported by the data. In order to evaluate the quantitative
structure-property relationships of these compounds with different electrical and spectroscopic
properties, statistical methods are also used. instead of the commonly known concept of entropy in
thermodynamics.