Referenced by:
Manuscript title: Metal Bound or Free Ylides as Reaction Intermediates in Metal-Catalyzed [2,3]-Sigmatropic Rearrangements? It Depends
Journal: ACS Catal.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Laconsay, Croix | - |
dc.coverage.spatial | ES Barcelona Barcelona | - |
dc.date.accessioned | 2020-10-28T21:29:57Z | - |
dc.date.available | 2020-10-28T21:29:57Z | - |
dc.date.created | 2020-10-28T22:29:54.76+01:00 | - |
dc.date.issued | 2020-10-28T22:29:54.76+01:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/194985 | - |
dc.description | Donor-Donor Rh unbound rearrangement TSS | - |
dc.publisher | University of California, Davis | - |
dc.relation | Original title: Metal Bound or Free Ylides as Reaction Intermediates in Metal-Catalyzed [2,3]-Sigmatropic Rearrangements? It Depends DOI: 10.1021/acscatal.0c04768 Journal: ACS Catal. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-68 | - |
dc.relation.uri | http://dx.doi.org/10.1021/acscatal.0c04768 | * |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2020 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | DD_Rh_unbound_rearrangement_TSS | - |
dc.type | dataset | - |
dc.date.updated | 2020-10-28T21:29:57Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevC.01 | en |
cml.method | UB3LYP | en |
cml.basisset | GENECP | en |
cml.spintype | Unrestricted | en |
cml.calculationtype | Single point Structure | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 2 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Rh_Stay_or_Go - DOI: 10.19061/iochem-bd-6-68 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/194985