Theoretical prediction on photoelectric and supramolecular properties of benzoquinone-tetrathiafulvalene macrocyclic molecules.

Yang, Yanwu; Yang, Zhiyin; Yan, Yuqing; Shi, Huizhong; Xie, Ju

Yang, Yanwu; Yang, Zhiyin; Yan, Yuqing; Shi, Huizhong; Xie, Ju.

Afiliação

Yang Y; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, Jiangsu, China.
Yang Z; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, Jiangsu, China.
Yan Y; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, Jiangsu, China.
Shi H; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, Jiangsu, China.
Xie J; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, Jiangsu, China. xieju@yzu.edu.cn.

J Mol Model ; 27(6): 157, 2021 May 07.

Article em En | MEDLINE | ID: mdl-33963470

Palavras-chave

Benzoquinone-tetrathiafulvalene macrocyclic molecule; Density functional theory calculation; Electronic structure and absorption spectrum; Supramolecular property

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Mol Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2021 Tipo de documento: Article País de afiliação: China

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