Exploration of aromaticity, through-space effect, and nature of CC bonds in chemistry using molecular electrostatic potential analysis

Abstract

Molecular Electrostatic Potential (MESP) analysis is a powerful computational technique utilized in theoretical chemistry to explore the electrostatic properties of molecules. The thesis strives to elucidate the diverse applications of MESP analysis. Its objective is to highlight the capability of MESP in providing a unified perspective on the electrostatic properties of molecules and carbon-carbon (CC) bonds within the field of chemistry using Density Functional Theory (DFT).