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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Espiñeira, Paula | - |
| dc.date.accessioned | 2021-07-23T09:02:58Z | - |
| dc.date.available | 2021-07-23T09:02:58Z | - |
| dc.date.created | 2021-07-23T11:02:56.921+02:00 | - |
| dc.date.issued | 2021-07-23T11:02:56.921+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/29827 | - |
| dc.description | 9-fluorenone neutre | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Density functional calculations | - |
| dc.subject | Electrochemistry | - |
| dc.subject | Alcohols | - |
| dc.subject | Carbonyl reduction | - |
| dc.title | FL | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-07-23T09:02:58Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2016 | en |
| cml.method | PBE | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | C13H8O | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Organic batteries | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/29827
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