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Manuscript title: Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes: Synthesis and DFT Studies
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | González Fabra, Joan | - |
| dc.date.accessioned | 2016-12-12T10:01:10Z | - |
| dc.date.available | 2017-02-21T15:38:54Z | - |
| dc.date.created | 2016-12-12T11:01:09.131+01:00 | - |
| dc.date.issued | 2016-12-12T11:01:09.131+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1690 | - |
| dc.description | PrSm | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.publisher | Universitat de Barcelona | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes: Synthesis and DFT Studies DOI: 10.1002/chem.201700095 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-22 | - |
| 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.subject | DFT | - |
| dc.subject | Coordination chemistry | - |
| dc.subject | Supramolecular chemistry | - |
| dc.subject | Lanthanides | - |
| dc.subject | Functional molecules | - |
| dc.subject | Spin crossover | - |
| dc.title | /PrSm PrSm | - |
| dc.type | dataset | - |
| dc.date.updated | 2016-12-12T10:01:10Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2013 | en |
| cml.program.other | 01 | en |
| cml.method | DFT | en |
| cml.basisset | TZP | en |
| cml.basisset | DZP | en |
| cml.multiplicity | 8 | en |
| cml.spintype | Restricted | en |
| cml.spintype | UNrestricted | en |
| cml.charge | -1 | en |
| cml.energy.value | -27.76560074 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C50H34N5O19PrSm | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 7 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes - DOI: 10.19061/iochem-bd-1-22 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1690
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