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Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms?
A density functional theory study is performed to determine the stability and bonding in the neon dimer inside the B(30)N(30) fullerene cage, the fluxional B(40) cage, and within non-fluxional cages such as B(12)N(12) and C(60). The nature of bonding in the Ne(2) encapsulated B(40) is compared with...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9787885/ https://www.ncbi.nlm.nih.gov/pubmed/36557816 http://dx.doi.org/10.3390/molecules27248683 |