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dc.contributor.authorPhung, Quan-
dc.coverage.spatialSpain ES-
dc.date.accessioned2016-09-09T10:43:39Z-
dc.date.available2016-09-09T10:43:39Z-
dc.date.created2016-09-09T12:43:38.069+02:00-
dc.date.issued2016-09-09T12:43:38.069+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/10-
dc.descriptionFeOH2 CASPT2 geometry-
dc.publisherUdG-
dc.rightsCC BY 4.0 (c) UdG, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleFeOH2-
dc.typedataset-
dc.date.updated2016-09-09T10:43:39Z-
cml.program.nameMolcasen
cml.program.version8.0en
cml.methodCASSCFen
cml.methodCASPT2en
cml.basissetANO-Len
cml.multiplicity4en
cml.charge1en
cml.formula.genericH 2 Fe 1 O 1en
cml.calculationtypeGeometry optimization Incompleteen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalstrueen
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Please use this identifier to cite or link to this item: https://iochem.udg.edu:8443/browse/handle/100/10

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