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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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| Publicat a: | Phys Chem Chem Phys |
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| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2019
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| Matèries: | |
| Accés en línia: | 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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