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Manuscript title: Practical Synthesis of Chiral Ferrocenenylphosphino-Gold(I) 2 Catalysts and NEST Analysis of the Enantioinduction
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Escofet, Imma | - |
| dc.date.accessioned | 2024-11-28T09:53:33Z | - |
| dc.date.available | 2025-01-20T12:09:06Z | - |
| dc.date.created | 2024-11-28T10:53:31.481163+01:00 | - |
| dc.date.issued | 2024-11-28T10:53:31.481163+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/96127 | - |
| dc.description | TSInt1c-2c | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Practical Synthesis of Chiral Ferrocenenylphosphino-Gold(I) 2 Catalysts and NEST Analysis of the Enantioinduction DOI: 10.1021/acscatal.4c07495 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-362 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.4c07495 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Asymmetric catalysis | - |
| dc.title | TSInt1c-2c | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-11-28T09:53:33Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RBP86 | en |
| cml.basisset | 6-31G* SDD GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 1 | en |
| cml.energy.value | -3544.46897466 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C61H62AuFeNO7P | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 4 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | DFT_and_NEST_Analysis_DFT_Chiral_Ferrocenenylphosphino_Au(I)_Cat - DOI: 10.19061/iochem-bd-1-362 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/96127
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