A DFT and TD-DFT study on electronic structures and UV-spectra properties of octaethyl-porphyrin with different central metals (Ni, V, Cu, Co)

Xiaoqin Wang, Shiyi Li, Liang Zhao, Chunming Xu, Jinsen Gao

Chinese Journal of Chemical Engineering . 2020, (2): 532 -540 . DOI: 10.1016/j.cjche.2019.07.008