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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-174.59258717en
cml.energy.unitseVen
cml.formula.genericC2H4Pd30en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
dc.contributor.authorShahrokhi, Masoud-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-12-01T10:58:54Z-
dc.date.accessioned2019-05-04T11:43:48Z-
dc.date.available2018-07-06T09:22:14Z-
dc.date.available2019-05-04T11:43:48Z-
dc.date.created2017-12-01T11:58:53.081+01:00-
dc.date.issued2017-12-01T11:58:53.081+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/6338-
dc.descriptionTS-HCCH2-C2H4-on-Pd(111)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-57-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleTS-HCCH2-C2H4-on-Pd(111)-
dc.typedataset-
dc.date.updated2017-12-01T10:58:54Z-
Appears in Collections:palladium_sulfide_nanoparticles_for_alkyne_semi-hydrogenation

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