ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Higham, Michael | - |
| dc.date.accessioned | 2017-05-09T16:06:18Z | - |
| dc.date.available | 2017-10-13T16:10:19Z | - |
| dc.date.created | 2017-05-09T18:06:17.247+02:00 | - |
| dc.date.issued | 2017-05-09T18:06:17.247+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/3947 | - |
| dc.description | final | - |
| dc.publisher | ETH Zurich | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-38 | - |
| 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 | /VCM_oxidation/21 final | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-05-09T16:06:18Z | - |
| 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 | -916.69992363 | 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: | RuO2_C2H4_Oxychlorination - DOI: 10.19061/iochem-bd-1-38 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/3947
Item files in Browse 
HTML5 resume (see conditions inside)