Dataset Open Access
Wöhner, Kevin;
Wulf, Toshiki;
Vankova, Nina;
Heine, Thomas
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"title": "Data publication: Strong Binding of Noble Gases to [B\u2081\u2082X\u2081\u2081]\u207b: a theoretical study",
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| All versions | This version | |
|---|---|---|
| Views | 949 | 949 |
| Downloads | 264 | 264 |
| Data volume | 268.6 GB | 268.6 GB |
| Unique views | 560 | 560 |
| Unique downloads | 43 | 43 |