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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 | 2016-10-21T08:57:54Z | - |
| dc.date.available | 2017-01-26T15:40:15Z | - |
| dc.date.created | 2016-10-21T10:57:53.641+02:00 | - |
| dc.date.issued | 2016-10-21T10:57:53.641+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1323 | - |
| dc.description | Fe octahedral Zero Field Splitting Calculation | - |
| 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 | /Fe13/Fe13_oxo_CCl3CO2(-) Fe_octahedral_ZFS | - |
| dc.type | dataset | - |
| dc.date.updated | 2016-10-21T08:57:54Z | - |
| cml.program.name | Molcas | en |
| cml.program.version | v8.0.14-09-21 | en |
| cml.method | CASSCF | en |
| cml.method | RASSI | en |
| cml.multiplicity | 2 | en |
| cml.charge | -6 | en |
| cml.formula.generic | C2H2Cl3FeO7 | 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: | 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/100/1323
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