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

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SYSNO	0571844
Title	DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability
Author(s)	McKee, M.L. (US) Vrána, J. (CZ) Holub, Josef (UACH-T)_{SAI, RID, ORCID} Fanfrlík, Jindřich (UOCHB-X) [610/61]_{RID, ORCID} Hnyk, Drahomír (UACH-T)_{SAI, RID, ORCID}
Corespondence/senior	Hnyk, Drahomír - Korespondující autor
Source Title	Molecules. Roč. 28, č. 8 (2023). - : MDPI
Article number	3645
Document Type	Článek v odborném periodiku
Grant	GA22-03945S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
Institutional support	UACH-T - RVO:61388980 ; UOCHB-X - RVO:61388963
Language	eng
Country	CH
Keywords	carboranes * cations * DFT * N-heterocyclic carbenes * reaction pathways
Cooperating institutions	Univerzita Pardubice, Fakulta chemicko-technologická (Czech Republic)
URL	https://hdl.handle.net/11104/0342758
Permanent Link	https://hdl.handle.net/11104/0342758

	File	Download	Size	Commentary	Version	Access
	DFT.pdf	0	5.8 MB	CC BY licence	Publisher’s postprint	open-access
	DFT SI.pdf	0	410.4 KB	CC BY licence	Publisher’s postprint	open-access

Number of the records: 1