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Referenced by:
Manuscript title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001)
Journal: J. Phys. Chem. C
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Garcia-Ratés, Miquel | - |
dc.date.accessioned | 2017-05-10T16:50:58Z | - |
dc.date.available | 2017-06-12T14:10:39Z | - |
dc.date.created | 2017-05-10T18:50:56.811+02:00 | - |
dc.date.issued | 2017-05-10T18:50:56.811+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/4067 | - |
dc.description | Hydroxymethyl adsorbed on the Pd S2W in vacuum | - |
dc.publisher | Institute of Chemical Research of Catalonia, The Barcelona Institute of Science and Technology | - |
dc.relation | Original 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.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-39 | - |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | Pd-S2W-H2COH_(vacuum) | - |
dc.type | dataset | - |
dc.date.updated | 2017-05-10T16:50:58Z | - |
cml.program.name | vasp | en |
cml.program.version | 5.3.3 | en |
cml.program.other | 18Dez12 (build Jan 17 2013 15:17:09) complex | en |
cml.shelltype | Closed shell | en |
cml.energy.value | -301.78385797 | en |
cml.energy.units | eV | en |
cml.formula.generic | N/A | en |
cml.calculationtype | Geometry optimization | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
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/100/4067