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Manuscript title: The Diverse Mechanisms for the Oxidative Addition of C-Br bonds to Pd(PR3) and Pd(PR3)2 Complexes
Journal: J. Chem. Soc., Dalton Trans.
DOI: 10.1039/C9DT03155C
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Besora, Maria | - |
| dc.date.accessioned | 2019-10-03T10:21:11Z | - |
| dc.date.available | 2019-10-03T10:21:11Z | - |
| dc.date.created | 2019-10-03T12:21:10.262+02:00 | - |
| dc.date.issued | 2019-10-03T12:21:10.262+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/21247 | - |
| dc.description | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall10 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: The Diverse Mechanisms for the Oxidative Addition of C-Br bonds to Pd(PR3) and Pd(PR3)2 Complexes DOI: 10.1039/C9DT03155C Journal: J. Chem. Soc., Dalton Trans. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-138 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/C9DT03155C | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall10 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-10-03T10:21:11Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevA.02 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-31+G(D,P) SDD GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -3853.28747253 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C12H23BrP2Pd | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | OxidativeAddition - DOI: 10.19061/iochem-bd-1-138 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/21247
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