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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Li, Lulu | |
| dc.date.accessioned | 2025-07-17T16:04:13Z | - |
| dc.date.available | 2026-09-22T15:40:35Z | - |
| dc.date.created | 2025-07-17T18:03:44.487024+02:00 | |
| dc.date.issued | 2025-07-17T18:03:44.487024+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/100680 | - |
| dc.description.abstract | model | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /RuO2_model/Ov_deplete/vac_5/new_mannul/vac6_2/vac7/vac7_6/vac8/vac8_3/h2o_liquid/then_aimd_constraint_potim_1/part07/model model | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -1316.65312356 | |
| cml.energy.units | eV | |
| cml.formula.generic | H64O104Ru40 | |
| cml.calculationtype | Ab-Initio Molecular Dynamics | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | RuOx-CeOx - DOI: 10.19061/iochem-bd-1-356 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/100680
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