DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability

Modern computational protocols based on the density functional theory (DFT) infer that polyhedral closo ten-vertex carboranes are key starting stationary states in obtaining ten-vertex cationic carboranes. The rearrangement of the bicapped square polyhedra into decaborane-like shapes with open hexag...

Descripción completa

Detalles Bibliográficos
Autores principales: McKee, Michael L., Vrána, Jan, Holub, Josef, Fanfrlík, Jindřich, Hnyk, Drahomír
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10141709/
https://www.ncbi.nlm.nih.gov/pubmed/37110879
http://dx.doi.org/10.3390/molecules28083645

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10141709/
https://www.ncbi.nlm.nih.gov/pubmed/37110879
http://dx.doi.org/10.3390/molecules28083645

Ejemplares similares