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DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability.
Molecules. 2023 Apr 21;28(8):3645. doi: 10.3390/molecules28083645.
Molecules. 2023.
PMID: 37110879
Free PMC article.
Rearrangement of dicarboranyl methyl cation to icosahedral C3 B9 H12 + : An ab initio dynamics view.
Perumalla DS, Ghorai S, Pal T, Hnyk D, Holub J, Jemmis ED.
Perumalla DS, et al.
J Comput Chem. 2023 Jan 30;44(3):256-260. doi: 10.1002/jcc.26880. Epub 2022 May 25.
J Comput Chem. 2023.
PMID: 35612818
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