ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Chlorine-promoted copper catalysts for CO2 electroreduction into highly reduced products
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ibáñez-Alé, Enric | - |
| dc.date.accessioned | 2022-11-11T17:24:40Z | - |
| dc.date.available | 2022-11-14T15:57:05Z | - |
| dc.date.created | 2022-11-11T18:24:39.395+01:00 | - |
| dc.date.issued | 2022-11-11T18:24:39.395+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/52224 | - |
| dc.description | Cu80O22H1Cl1-02 model surface with adsorbed COCHO | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Chlorine-promoted copper catalysts for CO2 electroreduction into highly reduced products DOI: 10.1016/j.xcrp.2023.101294 | * |
| dc.relation.uri | http://dx.doi.org/10.1016/j.xcrp.2023.101294 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Reaction_pathways Cu80O22H1Cl1-02-COCHO | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-11-11T17:24:40Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -457.61226229 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C2H2ClCu80O24 | 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: | CuOCl - DOI: 10.19061/iochem-bd-1-258 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/52224
Item files in Browse 
HTML5 resume (see conditions inside)