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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ser, Cher Tian | - |
| dc.date.accessioned | 2025-01-26T09:39:27Z | - |
| dc.date.available | 2025-01-26T09:39:27Z | - |
| dc.date.created | 2025-01-26T04:39:25.795565-05:00 | - |
| dc.date.issued | 2025-01-26T04:39:25.795565-05:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/5116 | - |
| dc.description | 3aa-adbrettphos-17-ts-t2-t3-orcasp | - |
| dc.publisher | Matter Lab | - |
| dc.rights | CC BY 4.0 (c) Matter Lab, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /3aa-adbrettphos/3aa-adbrettphos-17-ts-t2-t3/3aa-adbrettphos-17-ts-t2-t3-orcasp 3aa-adbrettphos-17-ts-t2-t3-orcasp | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-01-26T09:39:27Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.3 | en |
| cml.program.other | RELEASE | en |
| cml.basisset | def2-QZVPP | en |
| cml.basisset | def2-QZVPP/C | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -3076.37810426 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C53H74BO7PPd | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Pd-catalyzed_Protodeboronation_ChemRxiv_v2 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/5116
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