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...

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Detalles Bibliográficos
Autores principales: Weinert, Christopher, Ćoćić, Dušan, Puchta, Ralph, van Eldik, Rudi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Communication
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10420277/
https://www.ncbi.nlm.nih.gov/pubmed/37570645
http://dx.doi.org/10.3390/molecules28155676

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