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Manuscript title: Direct Observation of the Formation Pathway of [Mo 132] Keplerates
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Melgar, Dolores | - |
| dc.date.accessioned | 2017-03-27T19:46:36Z | - |
| dc.date.available | 2017-05-31T07:21:28Z | - |
| dc.date.created | 2017-03-27T21:46:35.568+02:00 | - |
| dc.date.issued | 2017-03-27T21:46:35.568+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1969 | - |
| dc.description | geometry optimization pentagonal motif Mo132 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Direct Observation of the Formation Pathway of [Mo 132] Keplerates DOI: 10.1021/acs.inorgchem.5b02570 Journal: Inorg. Chem. | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.inorgchem.5b02570 | - |
| 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 | keplerates | - |
| dc.subject | Nanostructures | - |
| dc.subject | Polyoxometalates | - |
| dc.title | Pentagon_opt | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-03-27T19:46:36Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2010 | en |
| cml.program.other | 01 | en |
| cml.method | DFT | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | -6 | en |
| cml.energy.value | -242.53610607 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Mo6O21 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 3 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Raman spectra of species observed during the formation of [Mo 132] Keplerates - DOI: 10.19061/iochem-bd-1-32 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1969
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