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Manuscript title: C − H Insertion in Dirhodium Tetracarboxylate-Catalyzed Reactions despite Dynamical Tendencies toward Fragmentation: Implications for Reaction Efficiency and Catalyst Design
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.2c07681
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Guo, Wentao | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2022-07-20T07:06:51Z | - |
| dc.date.available | 2022-07-20T07:06:51Z | - |
| dc.date.created | 2022-07-20T09:06:49.244+02:00 | - |
| dc.date.issued | 2022-07-20T09:06:49.244+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/216569 | - |
| dc.description | - | |
| dc.publisher | University of California, Davies | - |
| dc.publisher | Dean Tantillo group | - |
| dc.relation | Original title: C − H Insertion in Dirhodium Tetracarboxylate-Catalyzed Reactions despite Dynamical Tendencies toward Fragmentation: Implications for Reaction Efficiency and Catalyst Design DOI: 10.1021/jacs.2c07681 Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-151 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/jacs.2c07681 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Lactones | - |
| dc.subject | Carbenes | - |
| dc.subject | Rhodium | - |
| dc.subject | C-H activation | - |
| dc.title | /Bach_iPr_system Bach_iPr_TT_VTS1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-07-20T07:06:51Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | AM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-31G(D) LANL2DZ GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -4320.07666870 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C20H25BrO10Rh2 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Rh_lactonization_PTSB - DOI: 10.19061/iochem-bd-6-151 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/216569
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