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Manuscript title: Atom‐by‐Atom Resolution of Structure‐Function Relations over Low‐Nuclearity Metal Catalysts

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/ange.201902136

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DC FieldValueLanguage
dc.contributor.authorFako, Edvin-
dc.date.accessioned2018-08-02T15:22:20Z-
dc.date.available2019-05-06T14:21:33Z-
dc.date.created2018-08-02T17:22:19.299+02:00-
dc.date.issued2018-08-02T17:22:19.299+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/11501-
dc.descriptiontrimer_4060-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Atom‐by‐Atom Resolution of Structure‐Function Relations over Low‐Nuclearity Metal Catalysts DOI: 10.1002/ange.201902136 Journal: Angew. Chem. Int. Ed.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-122-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleMDsnap_trimer1_4060-
dc.typedataset-
dc.date.updated2018-08-02T15:22:20Z-
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-2222.69196643en
cml.energy.unitseVen
cml.formula.genericC96N128Pd3en
cml.calculationtypeSingle pointen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Multiatomic_Pd_catalysts



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