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Manuscript title: Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes: Synthesis and DFT Studies

DOI: 10.1002/chem.201700095

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DC FieldValueLanguage
dc.contributor.authorGonzález Fabra, Joan-
dc.date.accessioned2016-12-12T10:01:13Z-
dc.date.available2017-02-21T15:38:53Z-
dc.date.created2016-12-12T11:01:12.174+01:00-
dc.date.issued2016-12-12T11:01:12.174+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/1692-
dc.descriptionYbLa-
dc.publisherUniversitat Rovira i Virgili-
dc.publisherUniversitat de Barcelona-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes: Synthesis and DFT Studies DOI: 10.1002/chem.201700095*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-22-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectDFT-
dc.subjectCoordination chemistry-
dc.subjectSupramolecular chemistry-
dc.subjectLanthanides-
dc.subjectFunctional molecules-
dc.subjectSpin crossover-
dc.title/YbLa YbLa-
dc.typedataset-
dc.date.updated2016-12-12T10:01:13Z-
cml.program.nameADFen
cml.program.version2013en
cml.program.other01en
cml.methodDFTen
cml.basissetTZPen
cml.basissetDZPen
cml.multiplicity2en
cml.spintypeRestricteden
cml.spintypeUNrestricteden
cml.charge-1en
cml.energy.value-27.47801425en
cml.energy.unitsEhen
cml.formula.genericC50H34LaN5O19Yben
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs7en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes



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