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Manuscript title: Hydrogen-Bonded Matched Ion Pair Gold(I) Catalysis
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Martí Zaragoza, Àlex | - |
| dc.date.accessioned | 2023-05-30T12:55:33Z | - |
| dc.date.available | 2024-01-25T16:48:08Z | - |
| dc.date.created | 2023-05-30T14:55:31.468+02:00 | - |
| dc.date.issued | 2023-05-30T14:55:31.468+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/60440 | - |
| dc.description | TSint1b-2b | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Hydrogen-Bonded Matched Ion Pair Gold(I) Catalysis DOI: 10.1021/acscatal.3c02638 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-280 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.3c02638 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TSint1b-2b | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-05-30T12:55:33Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-31G* SDD GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -7549.57543627 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C127H85F3AuN3O13P2S | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 3 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Chiral_Phosphite_Gold(I)_Complex-Chiral_Counterion - DOI: 10.19061/iochem-bd-1-280 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/60440
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