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Selective Noble Gas Inclusion in Pentagon-Dodecahedral X(20)-Cages †
Using DFT-based computational chemistry calculations (ωB97XD/def2-tzvp//ωB97XD/def2-svp/svpfit + ZPE(ωB97XD/def2-svp/svpfit)), binding energies of noble gases encapsulated in a series of dodecahedrane molecules (general formula: X(20)H(20) where X = C, Si, Ge, Sn and Pb, and X(20) where X = N, P, As...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10420277/ https://www.ncbi.nlm.nih.gov/pubmed/37570645 http://dx.doi.org/10.3390/molecules28155676 |