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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Prslja, Paulina | - |
| dc.date.accessioned | 2019-05-08T13:55:25Z | - |
| dc.date.available | 2019-10-16T08:36:15Z | - |
| dc.date.created | 2019-05-08T15:55:23.99+02:00 | - |
| dc.date.issued | 2019-05-08T15:55:23.99+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/20265 | - |
| dc.description | CoN4-H2O system with adsorbed CO | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | CO2 reduction | - |
| dc.title | /CoN4-H2O CoN4-H2O-CO | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-05-08T13:55:25Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -680.25176123 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C67H2CoN4O2 | 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: | M-N4-C_systems_ - DOI: 10.19061/iochem-bd-1-115 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/20265
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