In-depth theoretical study on the impact of transition metals incorporation into the cavities of porphyrins considered conjugated bridges in NLO-active push–pull molecules: analysis by DFT, NBO, and TD–DFT

Assia Laib, Abdelkader M Elhorri, Madani Hedidi, Mourad Zouaoui–Rabah, Hicham Mahdjoub–Araibi, Mahammed Zenati