On curve fitting between topological indices and Gibb’s energy for semiconducting carbon nitrides network

Abstract

Abstract Quantitative structure relationships linked to a chemical structure that shed light on its properties and chemical reactions are called topological indices. This structure is upset by the addition of silicon (Si) doping, which changes the electrical and optical characteristics. In this article, we examine the connection between a chemical structure’s Gibbs energy (GE) and K-Banhatti indices. In this article, we compute the K-Banhatti indices and then show the correlation between the indices and Gibb’s energy of the molecule using curve fitting. Through the curve fitting, we see that there is a strong correlation between indices and Gibb’s energy of a molecule. We use the polynomial curve fitting approach to see the correlation between indices and Gibb’s energy.

Keywords

• Topological indices
• Graph
• Chemical graph
• Curve fitting
• Gibbs energy (GE)