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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Li, Qiang | - |
dc.date.accessioned | 2017-04-11T16:04:02Z | - |
dc.date.available | 2017-04-11T16:04:02Z | - |
dc.date.created | 2017-04-11T18:04:01.515+02:00 | - |
dc.date.issued | 2017-04-11T18:04:01.515+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/2012 | - |
dc.description | BNH6 | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-34 | - |
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.subject | Ni2P | - |
dc.subject | Ammonia-Borane | - |
dc.subject | NiCoP | - |
dc.subject | DFT | - |
dc.subject | Hydrolytic Dehydrogenation | - |
dc.title | /NiCo2P2/freq BNH6 | - |
dc.type | dataset | - |
dc.date.updated | 2017-04-11T16:04:02Z | - |
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 | Closed shell | en |
cml.energy.value | -624.35009694 | en |
cml.energy.units | eV | en |
cml.formula.generic | N/A | en |
cml.calculationtype | Frequencies | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | AB_NiCoP - DOI: 10.19061/iochem-bd-1-34 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/2012