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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Zhao, Hao | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-07-11T15:21:45Z | - |
| dc.date.available | 2024-07-11T15:21:45Z | - |
| dc.date.created | 2024-07-11T17:21:43.218758+02:00 | - |
| dc.date.issued | 2024-07-11T17:21:43.218758+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/323284 | - |
| dc.description | Transition state | - |
| dc.publisher | Shanghai Advanced Research Institute, Chinese Academy of Sciences | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-388 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Hydrogen evolution reaction | - |
| dc.subject | Quantum dots | - |
| dc.subject | Tafel kinetics | - |
| dc.subject | High entropy alloy | - |
| dc.title | /HEA-QDs/Tafel_activation_barriers_/Ru_sites_on_HEA-QDs Transition_state | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-07-11T15:21:45Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.1 | en |
| cml.program.other | 05Feb16 (build Apr 11 2022 18:17:45) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -601.73470206 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | H2Co8Fe5Mo16Ni17Pt17Ru17 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | High_entropy_alloy_quantum_dots_（HEA-QDs） - DOI: 10.19061/iochem-bd-6-388 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/323284
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