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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Strugovshchikov, Evgenii | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2024-03-01T11:44:28Z | - |
| dc.date.available | 2024-03-01T11:44:28Z | - |
| dc.date.created | 2024-03-01T12:44:27.267+01:00 | - |
| dc.date.issued | 2024-03-01T12:44:27.267+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/1653 | - |
| dc.description | Gas phase scan | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.publisher | TotalEnergies OneTech Belgium, Feluy, Seneffe, Belgium | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-68 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Gas_phase CO2(g)-30deg | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-03-01T11:44:28Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build Oct 30 2014 12:56:31) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -22.34584349 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CO2 | 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: | RWGS_on_Ni_Cu - DOI: 10.19061/iochem-bd-2-68 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/1653
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