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Manuscript title: Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass
Journal: ChemCatChem
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García Muelas, Rodrigo | - |
| dc.date.accessioned | 2017-06-14T15:58:05Z | - |
| dc.date.available | 2017-10-16T08:08:07Z | - |
| dc.date.created | 2017-06-14T17:58:03.759+02:00 | - |
| dc.date.issued | 2017-06-14T17:58:03.759+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/4207 | - |
| dc.description | NiO-3 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass DOI: 10.1002/cctc.201801271 Journal: ChemCatChem | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-42 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/cctc.201801271 | * |
| 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 | NiO-3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-06-14T15:58:05Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build Apr 25 2014 16:28:52) complex | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -390.72633663 | 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: | Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass - DOI: 10.19061/iochem-bd-1-42 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/4207
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