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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.3.5en
cml.program.other31Mar14 (build Apr 25 2014 16:28:52) complexen
cml.shelltypeClosed shellen
cml.energy.value-1079.58939486en
cml.energy.unitseVen
cml.formula.genericN/Aen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
dc.contributor.authorCapdevila-Cortada, Marçal-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-07-20T09:04:48Z-
dc.date.accessioned2019-05-04T10:41:26Z-
dc.date.available2017-07-20T09:04:48Z-
dc.date.available2019-05-04T10:41:26Z-
dc.date.created2017-07-20T11:04:47.373+02:00-
dc.date.issued2017-07-20T11:04:47.373+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/4190-
dc.descriptionclean slab with two oxygen vacancies (5)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Semi-hydrogenation of Acetylene on Indium Oxide: Proposed Single Ensemble Catalysis DOI: 10.1002/anie.201704999 Journal: Angew. Chem. Int. Ed.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-46-
dc.relation.urihttp://dx.doi.org/10.1002/anie.201704999-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/surfaces In2O3(111)_2xOvac5-
dc.typedataset-
dc.date.updated2017-07-20T09:04:48Z-
Appears in Collections:In2O3-SEC

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Manuscript title: Semi-hydrogenation of Acetylene on Indium Oxide: Proposed Single Ensemble Catalysis

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201704999



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/4190

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