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Referenced by:
Manuscript title: Identification of CO2 as a Reactive Reagent for C–C Bond Formation via Copper-Catalyzed Electrochemical Reduction
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lin, Wen-Yu | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-08-30T13:28:49Z | - |
| dc.date.available | 2023-08-30T13:28:49Z | - |
| dc.date.created | 2023-08-30T15:28:47.017+02:00 | - |
| dc.date.issued | 2023-08-30T15:28:47.017+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/305623 | - |
| dc.description | TS_CO+CH3onCu100 | - |
| dc.publisher | Department of Chemistry, National Cheng Kung University, Tainan, 701, Taiwan | - |
| dc.relation | Original title: Identification of CO2 as a Reactive Reagent for C–C Bond Formation via Copper-Catalyzed Electrochemical Reduction DOI: 10.1021/acscatal.3c02607 Journal: ACS Catal. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-278 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.3c02607 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TS_CO+CH3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-08-30T13:28:49Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 6.1.1 | en |
| cml.program.other | 19Jun20 (build Apr 08 2021 18:37:00) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -139.03782975 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C2H3Cu27O | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | C1-CO2coupling - DOI: 10.19061/iochem-bd-6-278 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/305623
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