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Theoretical investigation of the structural and spectroscopic properties of expanded metalloporphyrin complexes

The frontier molecular orbitals, UV–Vis absorption spectra, charge transfer (CT) and triplet excited states of 12 expanded D–A porphyrin/benzoporphyrin complexes were investigated using the density functional theory (DFT) method and time-dependent DFT in this work. The results showed that thiophene...

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Detalles Bibliográficos
Autores principales:	Jiang, Jie, Guo, Shengwei, Wang, Xiaorong, Xu, Liyan, Li, Qiang, Zhang, Xiaoxin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6366163/ https://www.ncbi.nlm.nih.gov/pubmed/30800371 http://dx.doi.org/10.1098/rsos.181199

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