Density Functional Theory Study of the Effect of Mono-Halogen Substitution on Electronic and Non-Linear Optical Properties of Porphyrin
Zahrau Hamisu Bashir, A. M. Nura, A. S. Gidado, M. A. Shariff & Rabiu Nuhu Muhammad · Journal of Energy Research and Reviews · 2023
Porphyrin is an organic macrocycle compound, with a chemical formular (C20H14N4) it act as important components in various technological application like solar cell, due to their flexibility and low production cost. In this work, DFT and TD-DFT were used to investigate the molecu...
Open access
Research Article
10.9734/jenrr/2023/v14i2282