Dataset Open Access
Data publication: Strong Binding of Noble Gases to [B₁₂X₁₁]⁻: a theoretical study
Wöhner, Kevin;
Wulf, Toshiki;
Vankova, Nina;
Heine, Thomas
This dataset contains output files of DFT and DLPNO calculations of the investigated species. At the DFT level of theory full geometry optimizations and frequency analysis where done. At DLPNO level of theory single point calculations were done.
Files
(1.0 GB)
| Name | Size | |
|---|---|---|
|
B12X11-.zip
md5:6e2e253d76701a87e45bd30018803145 |
1.0 GB | Download |
1,424
280
views
downloads
| All versions | This version | |
|---|---|---|
| Views | 1,424 | 1,424 |
| Downloads | 280 | 280 |
| Data volume | 284.9 GB | 284.9 GB |
| Unique views | 1,004 | 1,004 |
| Unique downloads | 59 | 59 |
- Publication date:
- November 4, 2021
- DOI:
-
- Keyword(s):
- Boron Anions Complexation Cluster chemistry Group 17 compounds
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-33348 - Referenced by:
https://www.hzdr.de/publications/Publ-32852 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International