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Manuscript title: Generating Fischer-type Rh-carbenes with Rh- carbynoids
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.3c00012
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Sharma, Akhilesh Kumar | - |
| dc.date.accessioned | 2023-02-15T13:33:07Z | - |
| dc.date.available | 2023-02-15T13:33:07Z | - |
| dc.date.created | 2023-02-15T14:33:05.821+01:00 | - |
| dc.date.issued | 2023-02-15T14:33:05.821+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/54318 | - |
| dc.description | Conformation of Fischer carbene leading to TS3 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Generating Fischer-type Rh-carbenes with Rh- carbynoids DOI: 10.1021/jacs.3c00012 Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-266 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/jacs.3c00012 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TS3_PRC | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-02-15T13:33:07Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-31G* SDD GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -2949.11552358 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C47H56O12Rh2 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Rh-Carbynoid - DOI: 10.19061/iochem-bd-1-266 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/54318
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