Code snippets
Referenced by:
Manuscript title: Effects of Axial Solvent Coordination to Dirhodium Complexes on the Reactivity and Selectivity in C–H Insertion Reactions: A Computational Study
Journal: Organometallics
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Laconsay, Croix | - |
| dc.coverage.spatial | ES Barcelona Barcelona | - |
| dc.date.accessioned | 2021-10-04T21:14:05Z | - |
| dc.date.available | 2021-10-04T21:14:05Z | - |
| dc.date.created | 2021-10-04T23:14:03.178+02:00 | - |
| dc.date.issued | 2021-10-04T23:14:03.178+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/199637 | - |
| dc.description | 6c_7c_TSS_ACN_ACN | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.relation | Original title: Effects of Axial Solvent Coordination to Dirhodium Complexes on the Reactivity and Selectivity in C–H Insertion Reactions: A Computational Study DOI: 10.1021/acs.organomet.1c00574 Journal: Organometallics | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-111 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.organomet.1c00574 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | 6c_7c_TSS_ACN_ACN | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-10-04T21:14:05Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | AM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | GENECP | en |
| cml.spintype | Restricted | 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_solvent - DOI: 10.19061/iochem-bd-6-111 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/199637
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