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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Chuong Nguyën, Huu | - |
| dc.date.accessioned | 2020-02-10T17:48:32Z | - |
| dc.date.available | 2020-04-27T11:18:47Z | - |
| dc.date.created | 2020-02-10T18:48:30.812+01:00 | - |
| dc.date.issued | 2020-02-10T18:48:30.812+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/22965 | - |
| dc.description | CH3 on Pb2Au_100 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-167 | - |
| 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 | CH3_on_Pb2Au_100 | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-02-10T17:48:32Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -148.29049088 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CH3Au12Pb24 | 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: | PbAu - DOI: 10.19061/iochem-bd-1-167 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/22965
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