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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Curti, Mariano | |
| dc.date.accessioned | 2025-12-08T17:40:00Z | - |
| dc.date.available | 2025-12-08T18:37:36.577382+01:00 | |
| dc.date.available | 2025-12-08T17:40:00Z | - |
| dc.date.created | 2025-12-08T18:37:36.577382+01:00 | |
| dc.date.issued | 2025-12-08T18:37:36.577382+01:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/480309 | - |
| dc.description.abstract | MD for 4E->4K, replica 1, 680-720 ns | |
| dc.publisher | Universitat de Barcelona | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-608 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | 4e4k_rep1_md18 | |
| dc.type | dataset | |
| cml.program.name | Amber | |
| cml.program.version | 24 | |
| cml.energy.value | -198.52931606976 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C797H1136N196O234Zn4 | |
| cml.calculationtype | Molecular Dynamics | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Unraveling_Charge_Transfer_States - DOI: 10.19061/iochem-bd-6-608 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/480309
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