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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Novotny, Jan | |
| dc.date.accessioned | 2025-10-01T10:37:42Z | - |
| dc.date.available | 2025-10-01T12:37:01.168012+02:00 | |
| dc.date.available | 2025-10-01T10:37:42Z | - |
| dc.date.created | 2025-10-01T12:37:01.168012+02:00 | |
| dc.date.issued | 2025-10-01T12:37:01.168012+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/478960 | - |
| dc.description.abstract | ZORA-PBE optimization and NMR calculation on compound2( 1xHg(dotam) + 3xHgCl_n) | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-586 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | Comp2_CASTEP_ZORA | |
| dc.type | dataset | |
| cml.formula.generic | C32H76Cl16Hg8N16O14 | |
| cml.calculationtype | N/A | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Hg_ssNMR - DOI: 10.19061/iochem-bd-6-586 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/478960
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