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| Title: | 1Br_QTAIM |
| Authors: | Sasikumar, Anagha |
| Keywords: | Halogen bonded cocrystals Paramagnetic NMR spectroscopy |
| Issue Date: | 8-Oct-2025 |
| Publisher: | National Center for Biomolecular Research, Masaryk University |
| Abstract: | QTAIM calculation Cu(acac)2@C6F4Br2 at ZORA/PBE50/TZ2P. Fragment analysis of the system attached as a .zip file |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/479181 |
| Appears in Collections: | pNMR_Xbond - DOI: 10.19061/iochem-bd-6-589 |
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https://iochem-bd.bsc.es/browse/handle/100/479181
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