Full metadata record
| DC Field | Value | Language |
|---|---|---|
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build Jul 4 2017 10:03:46) gamma-only | en |
| cml.method | PBE | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -4835.83292497 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C290H106Cl24NO190Ru48 | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| dc.contributor.author | Ortuño, Manuel | - |
| dc.contributor.other | Institute of Chemical Research of Catalonia | en |
| dc.date.accessioned | 2018-06-27T10:59:33Z | - |
| dc.date.accessioned | 2019-05-04T12:08:46Z | - |
| dc.date.available | 2019-04-23T08:00:32Z | - |
| dc.date.available | 2019-05-04T12:08:46Z | - |
| dc.date.created | 2018-06-27T12:59:32.036+02:00 | - |
| dc.date.issued | 2018-06-27T12:59:32.036+02:00 | - |
| dc.identifier.uri | https://www.iochem-bd.org//handle/10/7082 | - |
| dc.description | Butene on ligand-based defective node (low spin) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-83 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | defect-L-butene_(ls-L-9) | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-06-27T10:59:33Z | - |
| Appears in Collections: | Selective_Ethylene_Dimerization_via_Defective_Ru-MOF_nodes | |
Please use this identifier to cite or link to this item:
https://www.iochem-bd.org//handle/10/7082
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