ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Enhanced Performance of Zirconium‐Doped Ceria Catalysts for the Methoxycarbonylation of Anilines
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Rellán, Marcos | - |
| dc.date.accessioned | 2020-06-09T07:18:01Z | - |
| dc.date.available | 2020-07-30T20:03:50Z | - |
| dc.date.created | 2020-06-09T09:17:59.852+02:00 | - |
| dc.date.issued | 2020-06-09T09:17:59.852+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/24829 | - |
| dc.description | Adsorbed MeMC4 (methylated MC2) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Enhanced Performance of Zirconium‐Doped Ceria Catalysts for the Methoxycarbonylation of Anilines DOI: 10.1002/chem.202003201 Journal: Chem. Eur. J. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202003201 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Methylations MeMC4_ads | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-06-09T07:18:01Z | - |
| 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.energy.value | -1376.07674672 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C11H14Ce47N2O100Zr | 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: | Enhanced Performance of Zirconium‐Doped Ceria Catalysts for the Methoxycarbonylation of Anilines - DOI: 10.19061/iochem-bd-1-172 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/24829
Item files in Browse 
HTML5 resume (see conditions inside)