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Geometric Structure, Electronic, and Spectral Properties of Metal-free Phthalocyanine under the External Electric Fields

[Image: see text] Here, the ground-state structures, electronic structures, polarizability, and spectral properties of metal-free phthalocyanine (H(2)Pc) under different external electric fields (EEFs) are investigated. The results show that EEF has an ultrastrong regulation effect on various aspect...

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Detalles Bibliográficos
Autores principales:	Yang, Yue-Ju, Li, Shi-Xiong, Chen, De-Liang, Long, Zheng-Wen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9670904/ https://www.ncbi.nlm.nih.gov/pubmed/36406576 http://dx.doi.org/10.1021/acsomega.2c04941

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