Structures and Electronic Absorption Spectra of N/Neo-Confused, Doubly N-Confused and Neo-Confused N-Confused Porphyrin Isomers

Cao, HY; Ma, ZH; Zhang, WQ; Tang, Q; Li, RY; Zheng, XF

Cao, HY; Zheng, XF (corresponding author), Dalian Univ, Coll Life Sci & Technol, Dalian 116622, Peoples R China.; Zheng, XF (corresponding author), Dalian Univ, Coll Environm & Chem Engn, Dalian 116622, Peoples R China.

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2020; 41 (2): 341

Abstract

Three quantum chemistry tools including the density functional theory (DFT) , time-dependent density functional theory ( TD-DFT) and Multiwfn wave fun......

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