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Manuscript title: Role of the Imide Axial Ligand in the Spin and Oxidation State of Manganese Corrole and Corrolazine Complexes

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.6b00194

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DC FieldValueLanguage
dc.contributor.authorAlcover, Gerard-
dc.date.accessioned2016-04-20T14:53:00Z-
dc.date.available2016-04-20T14:53:00Z-
dc.date.created2016-04-20T16:52:57.634+02:00-
dc.date.issued2016-04-20T16:52:57.634+02:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/222-
dc.descriptionS=1-
dc.relationOriginal title: Role of the Imide Axial Ligand in the Spin and Oxidation State of Manganese Corrole and Corrolazine Complexes DOI: 10.1021/acs.inorgchem.6b00194 Journal: Inorg. Chem.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-2-4-
dc.rightshttp://creativecommons.org/licenses/by/4.0/-
dc.title/[Mn(Cor)(NMes)] Triplet-
dc.date.updated2016-04-20T14:53:00Z-
cml.program.nameTURBOMOLEen
cml.program.version6.4en
cml.methodU-DFTen
cml.basissetdef2-TZVPen
cml.multiplicity1en
cml.charge0.000000en
cml.energy.value-2505.853231765en
cml.energy.unitsEhen
cml.formula.genericC28H22MnN5en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:On the role of the imide axial ligand in the spin and oxidation state of Mn corrole and corrolazine complexes - DOI: 10.19061/iochem-bd-2-4



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/222

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