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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García-Padilla, Eduardo | |
| dc.date.accessioned | 2025-11-19T18:52:01Z | - |
| dc.date.available | 2026-01-09T12:05:31Z | - |
| dc.date.created | 2025-11-19T19:51:39.21906+01:00 | |
| dc.date.issued | 2025-11-19T19:51:39.21906+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/108240 | - |
| dc.description.abstract | Int2a | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | Int2a | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 09 | |
| cml.program.other | EM64L-G09RevD.01 | |
| cml.method | RBP86 | |
| cml.basisset | 6-31G* SDD LANL2DZ GENECP | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.shelltype | Closed | |
| cml.charge | 1 | |
| cml.energy.value | -3899.64758740 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C48H46BrF15AuNP | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | HaloenyneAlkoxycyclizations_and_Racemization - DOI: 10.19061/iochem-bd-1-307 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/108240
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