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dc.contributor.authorPablo-García, Sergio-
dc.date.accessioned2020-08-06T15:24:15Z-
dc.date.available2022-01-10T10:53:45Z-
dc.date.created2020-08-06T17:24:13.8+02:00-
dc.date.issued2020-08-06T17:24:13.8+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/26896-
dc.descriptiontop-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-228-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/opt/intermediates/Cu/I top-
dc.typedataset-
dc.date.updated2020-08-06T15:24:15Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-131.37807421en
cml.energy.unitseVen
cml.formula.genericCu36Ien
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Hydrodehalogenation - DOI: 10.19061/iochem-bd-1-228



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