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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.3.5en
cml.program.other31Mar14 (build Jul 4 2017 09:52:38) complexen
cml.methodPBEen
cml.shelltypeClosed shellen
cml.energy.value-633.19987741en
cml.energy.unitseVen
cml.formula.genericC7H12O3Pd100en
cml.calculationtypeFrequenciesen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
dc.contributor.authorOrtuño, Manuel-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2018-03-26T10:27:23Z-
dc.date.accessioned2019-05-04T11:44:07Z-
dc.date.available2018-05-29T08:04:47Z-
dc.date.available2019-05-04T11:44:07Z-
dc.date.created2018-03-26T12:27:21.823+02:00-
dc.date.issued2018-03-26T12:27:21.823+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/6349-
dc.descriptionPd dehydrogenation (k-point mesh 2x2x1)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-70-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleTS-A6-
dc.typedataset-
dc.date.updated2018-03-26T10:27:23Z-
Appears in Collections:Pd-P

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