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Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study

The electronic geometries and optical properties of two D-π-A type zinc porphyrin dyes (NCH(3)-YD2 and TPhe-YD) were systematically investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) to reveal the origin of significantly altered charge transfer enha...

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Detalles Bibliográficos
Autores principales:	Kang, Guo-Jun, Song, Chao, Ren, Xue-Feng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273875/ https://www.ncbi.nlm.nih.gov/pubmed/27897999 http://dx.doi.org/10.3390/molecules21121618

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