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Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Castro, Abril C. | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-06-29T09:33:48Z | - |
| dc.date.available | 2023-06-29T09:33:48Z | - |
| dc.date.created | 2023-06-29T11:33:45.934+02:00 | - |
| dc.date.issued | 2023-06-29T11:33:45.934+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/304775 | - |
| dc.description | OPT | - |
| dc.publisher | Department of Chemistry, Yale University | - |
| dc.publisher | Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo | - |
| dc.publisher | Department of Chemistry, UiT The Arctic University of Norway | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-260 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Reference_molecules tBu3P-Au | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-06-29T09:33:48Z | - |
| cml.program.name | AMS | en |
| cml.program.version | 2023.101 | en |
| cml.program.other | r111868 | en |
| cml.method | BP86 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -219.700637 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C12H27AuClP | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | GreenPhos - DOI: 10.19061/iochem-bd-6-260 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/304775
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