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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Dattila, Federico | - |
| dc.date.accessioned | 2024-08-10T15:44:34Z | - |
| dc.date.available | 2024-10-04T15:51:59Z | - |
| dc.date.created | 2024-08-10T17:44:33.006859+02:00 | - |
| dc.date.issued | 2024-08-10T17:44:33.006859+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/88296 | - |
| dc.description | DFT Energy: BMIM: + *H on a Cu(111)-(3x3) supercell with CO2CH3- as anion. | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Imidazolium | - |
| dc.subject | Carbon monoxide | - |
| dc.subject | Anion effect | - |
| dc.subject | Electrochemical CO₂ reduction | - |
| dc.subject | Ionic liquids | - |
| dc.subject | Ag | - |
| dc.subject | Surface poisoning | - |
| dc.title | /beyond-Ag Cu(111)-(3x3)-BMIM-CO2CH3-BMIM+H | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-08-10T15:44:34Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.formula.generic | C10H18Cu36N2O2 | 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: | descriptors-IL - DOI: 10.19061/iochem-bd-1-306 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/88296
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