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Manuscript title: Bulky ligands promote palladium-catalysed protodeboronation
Journal: Chem
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ser, Cher Tian | - |
| dc.date.accessioned | 2024-08-06T20:59:57Z | - |
| dc.date.available | 2024-08-08T16:11:24Z | - |
| dc.date.created | 2024-08-06T16:59:55.844661-04:00 | - |
| dc.date.issued | 2024-08-06T16:59:55.844661-04:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/907 | - |
| dc.description | 3m-tbudavephos-20-ts-t3-t4-opt | - |
| dc.publisher | Matter Lab | - |
| dc.relation | Original title: Bulky ligands promote palladium-catalysed protodeboronation DOI: 10.26434/chemrxiv-2024-cw8cs Journal: Chem | * |
| dc.relation.uri | http://dx.doi.org/10.26434/chemrxiv-2024-cw8cs | * |
| dc.rights | CC BY 4.0 (c) Matter Lab, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /3m-tbudavephos/3m-tbudavephos-20-ts-t3-t4 3m-tbudavephos-20-ts-t3-t4-opt | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-08-06T20:59:57Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.01 | en |
| cml.method | RPBEPBE | en |
| cml.basisset | DEF2SVP DEF2SVP/W06 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -1916.11859723 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C32H42NO2PPd | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Pd-catalysed_Protodeboronation_ChemRxiv_v1 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/907
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