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Insights into the nonlinear optical (NLO) response of pure Aum (2 ≥ m ≤ 7) and copper-doped Au(m)–xCu(x) clusters

A series of small pure Au(m) (2 ≥ m ≤ 7) and copper-doped Au(m−x)Cu(x) clusters was evaluated by density functional theory (DFT) at the CAM-B3LYP/LANL2DZ level for their geometric, electronic, and nonlinear optical (NLO) properties. The charge transfer for the Au cluster significantly improved by re...

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Detalles Bibliográficos
Autores principales:	Hussain, Fakhar, Hussain, Riaz, Adnan, Muhammad, Muhammad, Shabbir, Irshad, Zobia, Khan, Muhammad Usman, Yaqoob, Junaid, Ayub, Khurshid
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9449820/ https://www.ncbi.nlm.nih.gov/pubmed/36199323 http://dx.doi.org/10.1039/d2ra03664a

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