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Manuscript title: Mechanistic origin of the diverging selectivity patterns in catalyzed ethane and ethene oxychlorination

Journal: J. Catal.

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DC FieldValueLanguage
dc.contributor.authorScharfe, Matthias-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2019-05-20T15:04:08Z-
dc.date.available2019-07-26T13:07:23Z-
dc.date.created2019-05-20T17:04:04.379+02:00-
dc.date.issued2019-05-20T17:04:04.379+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/193686-
dc.description1_EaOC_Cl_Hstrip_Final-
dc.publisherETH Zurich-
dc.relationOriginal title: Mechanistic origin of the diverging selectivity patterns in catalyzed ethane and ethene oxychlorination Journal: J. Catal.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-16-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/FePO4 1_EaOC_Cl_Hstrip_Final-
dc.typedataset-
dc.date.updated2019-05-20T15:04:07Z-
cml.program.namevaspen
cml.program.version5.3.5en
cml.program.other31Mar14 (build Sep 08 2015 12:23:17) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-1261.81406650en
cml.energy.unitseVen
cml.formula.genericC2H20Cl2Fe27O108P27en
cml.calculationtypeFrequenciesen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:EaOC_EeOC



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/193686

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