Endohedral metal-nitride cluster ordering in metallofullerene–Ni(II)(OEP) complexes and crystals: a theoretical study†

The ordering of endohedral clusterfullerenes Sc(3)N@C(80) and YSc(2)N@C(80) co-crystallized with Ni(OEP) and isolated complexes with Ni(OEP) have been investigated theoretically. Having used multiple orientations of M(3)N clusters inside the cages with Fibonacci sampling, we describe the effect of i...

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Detalles Bibliográficos
Autores principales: Dubrovin, Vasilii, Gan, Li-Hua, Büchner, Bernd, Popov, Alexey A., Avdoshenko, Stanislav M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6839963/
https://www.ncbi.nlm.nih.gov/pubmed/30816387
http://dx.doi.org/10.1039/c9cp00634f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6839963/
https://www.ncbi.nlm.nih.gov/pubmed/30816387
http://dx.doi.org/10.1039/c9cp00634f

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