Penta-coordinated or -valent: the nature of the chemical bond of some Ti-C-Al compounds
OA Location
Author(s)
Sassmannshausen, Joerg
Type
Dataset
Abstract
These folders contain the raw date which were used to prepare the above publication.
The zipfiles entitles compound-1.zip, compound-2.zip, and compound-3.zip contain the data for the computed compounds of the main publication. Please refer to that for further details. The zip-file xray.zip contains the original cif-file for convenience.
The zipfiles entitles compound-1.zip, compound-2.zip, and compound-3.zip contain the data for the computed compounds of the main publication. Please refer to that for further details. The zip-file xray.zip contains the original cif-file for convenience.
Date Issued
2023-02-27
Citation
2023
License URL
Is Referenced By
10.1039/D3DT00164D
Subjects
DFT
hypervalent carbon
pentacoordinated carbon
pentavalent carbon
titanium