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Referenced by:
Manuscript title: Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates
Journal: J. Phys. Chem. A
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Bandeira, Nuno | - |
dc.date.accessioned | 2016-10-21T08:57:14Z | - |
dc.date.available | 2017-01-26T15:40:16Z | - |
dc.date.created | 2016-10-21T10:57:11.382+02:00 | - |
dc.date.issued | 2016-10-21T10:57:11.382+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1298 | - |
dc.description | broken symmetry S=5/2 | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates DOI: 10.1021/acs.jpca.6b10763 Journal: J. Phys. Chem. A | * |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /As4Fe8W30 BS | - |
dc.type | dataset | - |
dc.date.updated | 2016-10-21T08:57:13Z | - |
cml.program.name | ADF | en |
cml.program.version | 2014 | en |
cml.method | DFT | en |
cml.basisset | TZP | en |
cml.basisset | DZP | en |
cml.multiplicity | 6 | en |
cml.spintype | Restricted | en |
cml.spintype | UNrestricted | en |
cml.charge | -10 | en |
cml.formula.generic | H2AsFe3O40W9 | en |
cml.calculationtype | Single point | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 6 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Fe(III) Keggin structures - DOI: 10.19061/iochem-bd-1-18 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1298