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Binding mechanism and SERS spectra of 5-fluorouracil on gold clusters

The adsorption behaviour of the 5-fluorouracil (5FU) on small gold clusters Au( N ) with N = 6, 8, 20 was evaluated by means of density functional theory using the PBE-D3 functional in combination with a mixed basis set, i.e. cc-pVDZ-PP for gold atoms and cc-pVTZ for non-metal elements. The binding...

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Detalles Bibliográficos
Autores principales:	Si, Nguyen Thanh, Nhat, Pham Vu, Nguyen, Minh Tho
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9760957/ https://www.ncbi.nlm.nih.gov/pubmed/36545217 http://dx.doi.org/10.3389/fchem.2022.1050423

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