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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Geiger, Julian | - |
| dc.date.accessioned | 2023-03-07T19:02:06Z | - |
| dc.date.available | 2023-03-07T19:02:06Z | - |
| dc.date.created | 2023-03-07T20:02:05.079+01:00 | - |
| dc.date.issued | 2023-03-07T20:02:05.079+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/59501 | - |
| dc.description | on_ce-nh3-hse_sp | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /110/nd/pris/adsorbates on_ce-nh3-hse_sp | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-03-07T19:02:06Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 6.3.0 | en |
| cml.program.other | 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -698.92915440 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | H3Ce24NO48 | en |
| cml.calculationtype | N/A | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Mn_SAC_N2O - DOI: 10.19061/iochem-bd-1-262 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/59501
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