ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
INCARDownload
output.cmlDownload
Referenced by:

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

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGarcia-Ratés, Miquel-
dc.date.accessioned2017-05-10T16:50:41Z-
dc.date.available2017-06-12T14:10:39Z-
dc.date.created2017-05-10T18:50:39.967+02:00-
dc.date.issued2017-05-10T18:50:39.967+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/4055-
dc.descriptionIsolated formaldehyde molecule 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.titleH2CO_(vacuum)-
dc.typedataset-
dc.date.updated2017-05-10T16:50:41Z-
cml.program.namevaspen
cml.program.version5.3.2en
cml.program.other13Sep12 (build Oct 24 2012 13:28:27) complexen
cml.shelltypeClosed shellen
cml.energy.value-22.14151727en
cml.energy.unitseVen
cml.formula.genericN/Aen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) - DOI: 10.19061/iochem-bd-1-39



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/4055

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License