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dc.contributor.authorSaureu, Sergi-
dc.date.accessioned2016-04-05T07:46:10Z-
dc.date.available2016-04-05T07:46:10Z-
dc.date.created2016-04-05T09:46:09.051+02:00-
dc.date.issued2016-04-05T09:46:09.051+02:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/198-
dc.descriptionOptimized structure DFT/B3LYP*/def2-TZVP of the LS state.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-2-3-
dc.rightshttp://creativecommons.org/licenses/by/4.0/-
dc.title/Chapter_4/B3LYP_STAR_OPT Fe(sal2trien)_LS__OPT_B3LYP_STAR-
dc.date.updated2016-04-05T07:46:10Z-
cml.program.nameOrcaen
cml.program.version3.0.1en
cml.program.otherRELEASEen
cml.methodDFTen
cml.basissetdef2-TZVPen
cml.spintypeUnrestricteden
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:From Mononuclear to Dinuclear: Magnetic Properties of Transition Metal Complexes - DOI: 10.19061/iochem-bd-2-3



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/198

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