ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Benzidi, Hind | - |
| dc.date.accessioned | 2024-05-08T09:10:59Z | - |
| dc.date.available | 2024-05-08T09:10:59Z | - |
| dc.date.created | 2024-05-08T11:10:57.557276+02:00 | - |
| dc.date.issued | 2024-05-08T11:10:57.557276+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/68851 | - |
| dc.description | WO4_nosolvated | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Gaussian_data_GGA WO4 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-05-08T09:10:59Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | RwB97XD | en |
| cml.basisset | 6-311G(D) LANL2DZ GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -2 | en |
| cml.energy.value | -368.784147038 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | O4W | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Co-del_OER - DOI: 10.19061/iochem-bd-1-320 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/68851
Item files in Browse 
HTML5 resume (see conditions inside)