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Manuscript title: Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.8b05015
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Segado, Mireia | - |
| dc.date.accessioned | 2018-05-11T07:05:53Z | - |
| dc.date.available | 2018-07-16T16:50:39Z | - |
| dc.date.created | 2018-05-11T09:05:52.303+02:00 | - |
| dc.date.issued | 2018-05-11T09:05:52.303+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/9387 | - |
| dc.description | NB10_K_opt_freq_pos1_ra | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water DOI: 10.1021/jacs.8b05015 Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-88 | - |
| 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 | /positionsp1p2p3 NB10_K_opt_freq_pos1_ra | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-05-11T07:05:53Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RPBE1PBE | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -5 | en |
| cml.energy.value | -2705.65132226 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | Nb10O28K | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water - DOI: 10.19061/iochem-bd-1-88 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/9387
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