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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Li, Qiang | - |
| dc.date.accessioned | 2017-10-17T11:33:19Z | - |
| dc.date.available | 2018-04-06T10:23:29Z | - |
| dc.date.created | 2017-10-17T13:33:18.214+02:00 | - |
| dc.date.issued | 2017-10-17T13:33:18.214+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/5904 | - |
| dc.description | ts-b15 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-52 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /reactions/niru ts_b15 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-10-17T11:33:19Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.3 | en |
| cml.program.other | 18Dez12 (build Mar 2 2016 16:13:58) complex | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -597.85940706 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C10H13Ni83O4Ru | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | lignin_depolymerization - DOI: 10.19061/iochem-bd-1-52 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/5904
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