The inner oxygen-substituted strategy effects on structure, aromaticity and absorption spectra of corrole isomers: A theoretical study.

Cao, Hongyu; Huang, Ruisi; Huang, Ting; Tang, Qian; Wang, Lihao; Zheng, Xuefang

Cao, Hongyu; Huang, Ruisi; Huang, Ting; Tang, Qian; Wang, Lihao; Zheng, Xuefang.

Afiliación

Cao H; College of Life Science and Biotechnology, Dalian University, Dalian, 116622, China; Liaoning Key Laboratory of Bio-Organic Chemistry, Dalian University, Dalian, 116622, China. Electronic address: caohongyu@foxmail.com.
Huang R; College of Environmental and Chemical Engineering, Dalian University, Dalian, 116622, China.
Huang T; College of Environmental and Chemical Engineering, Dalian University, Dalian, 116622, China.
Tang Q; College of Life Science and Biotechnology, Dalian University, Dalian, 116622, China; Liaoning Key Laboratory of Bio-Organic Chemistry, Dalian University, Dalian, 116622, China.
Wang L; College of Environmental and Chemical Engineering, Dalian University, Dalian, 116622, China.
Zheng X; College of Environmental and Chemical Engineering, Dalian University, Dalian, 116622, China; Liaoning Key Laboratory of Bio-Organic Chemistry, Dalian University, Dalian, 116622, China. Electronic address: dlxfzheng@126.com.

J Mol Graph Model ; 112: 108118, 2022 05.

Article en En | MEDLINE | ID: mdl-34979366

Asunto(s)

Oxígeno; Porfirinas; Modelos Teóricos; Estructura Molecular; Porfirinas/química

Palabras clave

Absorption spectra; Aromaticity; Dioxacorroles; NCI; Oxacorroles; TDDFT

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Oxígeno / Porfirinas Tipo de estudio: Prognostic_studies Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2022 Tipo del documento: Article Pais de publicación: Estados Unidos

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