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dc.contributor.authorFondevila, Adiran J. De Aguirre-
dc.date.accessioned2020-09-30T20:48:49Z-
dc.date.available2020-09-30T20:48:49Z-
dc.date.created2020-09-30T22:48:46.706+02:00-
dc.date.issued2020-09-30T22:48:46.706+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/27158-
dc.descriptionMossbauer-Fe(Lopen)(MeCN)2-sextet-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-184-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleMossbauer-Fe(Lopen)(MeCN)2-sextet-
dc.typedataset-
dc.date.updated2020-09-30T20:48:49Z-
cml.program.nameOrcaen
cml.program.version4.0.1.2en
cml.program.otherRELEASEen
cml.methodDFTen
cml.basissetdef2-TZVPPen
cml.basissetAutoauxen
cml.basissetCP(PPP)en
cml.multiplicity6en
cml.spintypeUnrestricteden
cml.charge2en
cml.energy.value-2618.00388480en
cml.energy.unitsEhen
cml.formula.genericC25H30FeN7en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:SCN-Fetpena - DOI: 10.19061/iochem-bd-1-184



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/27158

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