Molecular structure, kinetics and mechanism of thermal decomposition, molecular electrostatic potential, thermodynamic parameters and HOMO–LUMO analysis of coumarin-containing graft copolymer

Abstract

This paper contains a combined theoretical and experimental study of thermodynamic, thermogravimetric and electronic properties of coumarin-containing graft copolymer. All the theoretical calculations were performed using the DFT (B3LYP) method with 6-311