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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Jan 17 2013 15:17:09) complexen
cml.shelltypeClosed shellen
cml.energy.value-342.33745219en
cml.energy.unitseVen
cml.formula.genericN/Aen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
dc.contributor.authorGarcia-Ratés, Miquel-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-05-10T16:50:49Z-
dc.date.accessioned2019-05-04T12:13:52Z-
dc.date.available2017-06-12T14:10:40Z-
dc.date.available2019-05-04T12:13:52Z-
dc.date.created2017-05-10T18:50:48.314+02:00-
dc.date.issued2017-05-10T18:50:48.314+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/7250-
dc.descriptionTS for the methanol CH bond breaking on the Pt S2W in vacuum-
dc.publisherInstitute of Chemical Research of Catalonia, The Barcelona Institute of Science and Technology-
dc.relationOriginal title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) DOI: 10.1021/acs.jpcc.7b05545 Journal: J. Phys. Chem. C*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-39-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlePt-S2W-TS-H3COH-H2COH_(vacuum)-
dc.typedataset-
dc.date.updated2017-05-10T16:50:49Z-
Appears in Collections:Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001)

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Manuscript title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001)

Journal: J. Phys. Chem. C

DOI: 10.1021/acs.jpcc.7b05545



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/7250

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