DFT/TDDFT in silico design of ullazine-derived D-p-A-p-A dye photosensitiser

Huang, J; Yang, L; Chen, ZX; Zhou, YK; Zeng, SS

Huang, J (通讯作者)，Putian Univ, Coll Environm & Biol Engn, Fujian Prov Key Lab Ecol Toxicol Effects & Control, Putian, Fujian, Peoples R China.

NEW JOURNAL OF CHEMISTRY, 2023; 47 (23): 11030

Abstract

A set of ullazine-derived D-p-A-p-A photosensitisers were considered and selected for a potential dye with the best performance via computational appr......

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