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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Petrus, Enric | - |
| dc.date.accessioned | 2018-07-22T07:25:29Z | - |
| dc.date.available | 2020-01-14T14:00:22Z | - |
| dc.date.created | 2018-07-22T09:25:28.171+02:00 | - |
| dc.date.issued | 2018-07-22T09:25:28.171+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/10132 | - |
| dc.description | UO2-4H2O | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | * | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Mayer/UO2_H2Ox/UO2_4H2O UO2_4H2O | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-07-22T07:25:29Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-31+G* | en |
| cml.basisset | SDD | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 2 | en |
| cml.energy.value | -933.076176788 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | H8O6U | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Master Thesis | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/10132
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