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Computational Studies on Optoelectronic and Nonlinear Properties of Octaphyrin Derivatives

The electronic and nonlinear optical (NLO) properties of octaphyrin derivatives were studied by employing the DFT/TDFT at CAM-B3LYP/6-311++G (2d, 2p) level of the theory. Thiophene, phenyl, methyl and cyano moieties were substituted on the molecular framework of octaphyrin core, in order to observe...

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Detalles Bibliográficos
Autores principales:	Islam, Nasarul, Lone, Irfan H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338300/ https://www.ncbi.nlm.nih.gov/pubmed/28321394 http://dx.doi.org/10.3389/fchem.2017.00011

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