Code snippets
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 | 2020-12-28T21:51:16Z | - |
| dc.date.available | 2020-12-28T21:51:16Z | - |
| dc.date.created | 2020-12-28T22:51:13.879+01:00 | - |
| dc.date.issued | 2020-12-28T22:51:13.879+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/195092 | - |
| dc.description | Wang propargyl Rh unbound ylide | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.publisher | UC 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.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 | W_prop_Rh_unbound_ylide | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-12-28T21:51:16Z | - |
| 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/100/195092
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