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Manuscript title: Charge-Controlled Pd-Catalysis Enables the Meta-C-H Activation/Olefination of Arenes
Journal: Chem
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Díaz-Ruiz, Marina | - |
| dc.date.accessioned | 2022-06-27T12:31:48Z | - |
| dc.date.available | 2023-01-09T10:36:05Z | - |
| dc.date.created | 2022-06-27T14:31:47.394+02:00 | - |
| dc.date.issued | 2022-06-27T14:31:47.394+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/40393 | - |
| dc.description | ac-gly-o | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Charge-Controlled Pd-Catalysis Enables the Meta-C-H Activation/Olefination of Arenes DOI: 10.1016/j.chempr.2022.12.019 Journal: Chem | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-254 | - |
| dc.relation.uri | http://dx.doi.org/10.1016/j.chempr.2022.12.019 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | ac-gly-o | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-06-27T12:31:48Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | RB3LYP | en |
| cml.basisset | CC-PVTZ GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -436.8168759 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C4H6NO3 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Charge-controlled activation of arenes - DOI: 10.19061/iochem-bd-1-254 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/40393
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