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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Arenas Baeza, Carmen MarÃa | |
| dc.date.accessioned | 2026-04-08T13:09:10Z | - |
| dc.date.available | 2026-05-21T14:20:24Z | - |
| dc.date.created | 2026-04-08T15:09:06.317734+02:00 | |
| dc.date.issued | 2026-04-08T15:09:06.317734+02:00 | |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/3650 | - |
| dc.description.abstract | I0 | |
| dc.description.sponsorship | Universitat Rovira i Virgili | |
| dc.publisher | Universitat Rovira i Virgili | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-89 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | I0 | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevA.03 | |
| cml.method | RwB97XD | |
| cml.basisset | LANL2DZ 6-31G(D,P) GENECP | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -1804.52845487 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C39H32ClCuOP2 | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Chiral 5-membered carbocycles - DOI: 10.19061/iochem-bd-2-89 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/3650
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