Dataset Open Access
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.
Name | Size | |
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B12X11-.zip
md5:6e2e253d76701a87e45bd30018803145 |
1.0 GB | Download |
All versions | This version | |
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Views | 509 | 509 |
Downloads | 259 | 259 |
Data volume | 263.5 GB | 263.5 GB |
Unique views | 222 | 222 |
Unique downloads | 38 | 38 |