ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
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 | 2016-10-21T08:57:59Z | - |
| dc.date.available | 2017-01-26T15:40:14Z | - |
| dc.date.created | 2016-10-21T10:57:58.524+02:00 | - |
| dc.date.issued | 2016-10-21T10:57:58.524+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1326 | - |
| dc.description | BS#5 S=25/2 | - |
| 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 | /Fe13/Fe13_oxo_CCl3CO2(-) BS_5_S=25_2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2016-10-21T08:57:59Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2013 | en |
| cml.program.other | 01 | en |
| cml.method | DFT | en |
| cml.basisset | DZP | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 26 | en |
| cml.spintype | Restricted | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 1 | en |
| cml.formula.generic | C24H36Bi6Cl36Fe13O64 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 7 | 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/100/1326
Item files in Browse 
HTML5 resume (see conditions inside)