Cu(n) Clusters (n = 13, 43, and 55) as Possible Degradant Agents of mSF(6) Molecules (m = 1, 2): A DFT Study

[Image: see text] In order to obtain the structural and electronic properties of pristine copper clusters and Cu(13)–SF(6), Cu(43)–SF(6), Cu(55)–SF(6), Cu(13)–2SF(6), Cu(43)–2SF(6), and Cu(55)–2SF(6) systems, DFT calculations were carried out. For Cu(13)–mSF(6), its surface suffers a drastic deforma...

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Detalles Bibliográficos
Autores principales: Sintillo, S. Mejía, Bautista Hernández, Alejandro, Peláez Cid, Alejandra Alicia, Ibarra Hernández, Wilfredo, Villanueva, M. Salazar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9521032/
https://www.ncbi.nlm.nih.gov/pubmed/36188309
http://dx.doi.org/10.1021/acsomega.2c04020

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9521032/
https://www.ncbi.nlm.nih.gov/pubmed/36188309
http://dx.doi.org/10.1021/acsomega.2c04020

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