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Referenced by:
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 | 2019-10-03T10:27:57Z | - |
dc.date.available | 2019-10-03T10:27:57Z | - |
dc.date.created | 2019-10-03T12:27:55.735+02:00 | - |
dc.date.issued | 2019-10-03T12:27:55.735+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/21410 | - |
dc.description | wat_set_Brpdpf32 | - |
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 | wat_set_Brpdpf32 | - |
dc.type | dataset | - |
dc.date.updated | 2019-10-03T10:27:56Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevD.01 | en |
cml.method | UB3LYP | en |
cml.basisset | 6-31+G(D,P) SDD GEN | en |
cml.multiplicity | 2 | en |
cml.spintype | Unrestricted | en |
cml.shelltype | open | en |
cml.charge | 0 | en |
cml.energy.value | -3981.39977991 | en |
cml.energy.units | Eh | en |
cml.formula.generic | BrF6P2Pd | en |
cml.calculationtype | Geometry optimization Minimum | 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/100/21410