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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Morales-Vidal, Jordi | - |
dc.date.accessioned | 2025-01-08T08:44:46Z | - |
dc.date.available | 2025-01-08T10:13:21Z | - |
dc.date.created | 2025-01-08T09:44:45.046716+01:00 | - |
dc.date.issued | 2025-01-08T09:44:45.046716+01:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/96411 | - |
dc.description | Adsorption of heptane on RuNi-c surface | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /Heptane-cleavage/RuNi-c RuNi-c-C7 | - |
dc.type | dataset | - |
dc.date.updated | 2025-01-08T08:44:46Z | - |
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 | Open shell | en |
cml.formula.generic | C7H16Ni108Ru90 | 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: | RuNi_plastics - DOI: 10.19061/iochem-bd-1-361 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/96411