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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Roser, Morales | - |
| dc.coverage.spatial | Catalonia Spain ES | - |
| dc.date.accessioned | 2017-09-12T14:46:18Z | - |
| dc.date.available | 2018-04-23T14:57:12Z | - |
| dc.date.created | 2017-09-12T16:46:16.618+02:00 | - |
| dc.date.issued | 2017-09-12T16:46:16.618+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/371 | - |
| dc.description | SIII raman spectrum | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-20 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Geometry optimization | - |
| dc.subject | Uranium | - |
| dc.subject | Electrochemistry | - |
| dc.subject | Fullerenes | - |
| dc.subject | Raman spectroscopy | - |
| dc.title | /Gaussian09_calculations/opt SIII_raman | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-09-12T14:46:18Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | UBP86 | en |
| cml.basisset | 6-31g(d,p) | en |
| cml.basisset | SDD | en |
| cml.multiplicity | 7 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 0 | en |
| cml.energy.value | -4002.85950655 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C80U2 | en |
| cml.calculationtype | Geometry optimization Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | U2@C80 - DOI: 10.19061/iochem-bd-2-20 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/371
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