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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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| Publicado no: | Phys Chem Chem Phys |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6839963/ https://ncbi.nlm.nih.gov/pubmed/30816387 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9cp00634f |
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