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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Moreno Vicente, Antonio | - |
| dc.coverage.spatial | ES Tarragona Tarragona | - |
| dc.date.accessioned | 2021-07-18T10:47:18Z | - |
| dc.date.available | 2021-07-18T10:47:18Z | - |
| dc.date.created | 2021-07-18T12:47:17.099+02:00 | - |
| dc.date.issued | 2021-07-18T12:47:17.099+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/997 | - |
| dc.description | Addend-2a' | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-56 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Addend-2a_ | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-07-18T10:47:18Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2018 | en |
| cml.method | PBE | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -5.42179539 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C9H13NO2 | 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: | Methanometallofullerenes_from_Multi-component_Reactions - DOI: 10.19061/iochem-bd-2-56 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/997
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