ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Mechanistic Routes toward C3 products in Copper-Catalyzed CO2 Electroreduction
Journal: Catal. Sci. Technol.
DOI: 10.1039/d1cy01423d
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García Muelas, Rodrigo | - |
| dc.date.accessioned | 2021-07-29T10:58:54Z | - |
| dc.date.available | 2022-04-06T09:18:03Z | - |
| dc.date.created | 2021-07-29T12:58:52.872+02:00 | - |
| dc.date.issued | 2021-07-29T12:58:52.872+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/30948 | - |
| dc.description | C2-C1 coupling reaction i200101+i111102-i311104+i000000 | - |
| dc.publisher | NU Singapore | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.publisher | ETH Zurich | - |
| dc.relation | Original title: Mechanistic Routes toward C3 products in Copper-Catalyzed CO2 Electroreduction DOI: 10.1039/d1cy01423d Journal: Catal. Sci. Technol. | * |
| dc.relation.uri | http://dx.doi.org/10.1039/d1cy01423d | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | 1-propanol | - |
| dc.subject | propylene | - |
| dc.subject | automated generation | - |
| dc.title | i200101+i111102-i311104+i000000 | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-07-29T10:58:54Z | - |
| 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 | -159.44829891 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C3HCu36O | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Propylene - DOI: 10.19061/iochem-bd-1-175 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/30948
Item files in Browse 
HTML5 resume (see conditions inside)