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Manuscript title: Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-type Behavior
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Funes-Ardoiz, Ignacio | - |
| dc.date.accessioned | 2018-07-13T13:22:40Z | - |
| dc.date.available | 2018-07-13T13:22:40Z | - |
| dc.date.created | 2018-07-13T15:22:39.138+02:00 | - |
| dc.date.issued | 2018-07-13T15:22:39.138+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/9930 | - |
| dc.description | H2O2 | - |
| dc.publisher | IU CINQUIMA/Química Inorgánica. Universidad de Valladolid | - |
| dc.publisher | Departament de Química, Universitat Autònoma de Barcelona | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-type Behavior DOI: 10.1021/acscatal.8b01540 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-85 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.8b01540 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Oxidation | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | C-C coupling | - |
| dc.subject | Palladium | - |
| dc.title | /B3LYPD3_calculations H2O2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-07-13T13:22:40Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-311++G** | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -151.615070481 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | H2O2 | 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: | Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-type Behavior - DOI: 10.19061/iochem-bd-1-85 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/9930
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