The Schultz molecular topological index (MTI) is compared with the Wiener index (W) of a molecular graph. It is shown that 2VminW < MTI e 4VmaxW holds for any (connected) graph Γ, with Vmin and Vmax denoting the smallest and the largest valency, respectively, of the vertices of Γ. For molecular graphs these bounds can be further improved. For instance, for benzenoid systems we have the followin...

The relative aromaticity of benzenoid rings in the linear polyacenes is investigated using two novel aromaticity approaches. According to the first, the aromaticity of individual benzene rings was gauged by the values of six-center bond indices (SCI) calculated within the so-called Generalized Population Analysis (GPA). In the second approach, the same goal is addressed using the theory of Mole...

Polyaniline-fly ash (PANI-FA) composites were prepared by oxidative polymerization of aniline with fly ash in presence of ammonium persulphate (APS). The PANI-FA composites were prepared with different concentrations of fly ash to aniline ratio. The composites, so prepared, were characterized by UV-vis spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (S...

The molecular topology and the chemical structures which are not regular perform a dominant character in designing compound connection with their physical properties. study of topological descriptors is widely used field cheminformatics, information technology, biomedical science, many more. Numerous indices have been evolved theory chemistry. Graphs can be specified using irregular measures. I...