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 | 2020-12-28T21:42:21Z | - |
dc.date.available | 2020-12-28T21:42:21Z | - |
dc.date.created | 2020-12-28T22:42:16.496+01:00 | - |
dc.date.issued | 2020-12-28T22:42:16.496+01:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/195082 | - |
dc.description | Acceptor Nitrile Rh bound ylide | - |
dc.publisher | Barcelona Supercomputing Center | - |
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.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 | A_nitrile_Rh_bound_ylide | - |
dc.type | dataset | - |
dc.date.updated | 2020-12-28T21:42:20Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevB.01 | en |
cml.method | UB3LYP | en |
cml.basisset | GENECP | en |
cml.multiplicity | 1 | en |
cml.spintype | Unrestricted | en |
cml.charge | 0 | 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/100/195082