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dc.contributor.authorGonzález Fabra, Joan-
dc.date.accessioned2018-02-07T10:59:45Z-
dc.date.available2018-06-29T09:51:44Z-
dc.date.created2018-02-07T11:59:43.735+01:00-
dc.date.issued2018-02-07T11:59:43.735+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/8747-
dc.descriptionMixing-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-64-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectBond energy-
dc.subjectDensity functional calculations-
dc.subjectHeterometallic complexes-
dc.subjectLanthanides-
dc.subjectMagnetic properties-
dc.title/B3LYP/LaPr/Exp/Mixing Mixing-
dc.typedataset-
dc.date.updated2018-02-07T10:59:45Z-
cml.program.nameADFen
cml.program.version2017en
cml.methodDFTen
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeUNrestricteden
cml.formula.genericC50H34LaN5O19Pren
cml.calculationtypeSingle pointen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:PrLn - DOI: 10.19061/iochem-bd-1-64



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