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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | González Fabra, Joan | - |
| dc.date.accessioned | 2018-02-07T10:59:40Z | - |
| dc.date.available | 2018-06-29T09:51:45Z | - |
| dc.date.created | 2018-02-07T11:59:38.987+01:00 | - |
| dc.date.issued | 2018-02-07T11:59:38.987+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/8744 | - |
| dc.description | Inv | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-64 | - |
| 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.subject | Bond energy | - |
| dc.subject | Density functional calculations | - |
| dc.subject | Heterometallic complexes | - |
| dc.subject | Lanthanides | - |
| dc.subject | Magnetic properties | - |
| dc.title | /B3LYP/LaPr/Inv Inv | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-02-07T10:59:40Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2017 | en |
| cml.method | DFT | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | UNrestricted | en |
| cml.formula.generic | C50H34LaN5O19Pr | 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: | PrLn - DOI: 10.19061/iochem-bd-1-64 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/8744
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