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
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
中国化学工程学报
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2020, (2): 532
-540
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DOI: 10.1016/j.cjche.2019.07.008