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Manuscript title: Opposite Effects of Added AsPh3 Reveal a Drastic Mechanistic Switch in RhI/AuI Transmetalations via Rh−Au Bonded Intermediates
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Peñas-Defrutos, Marconi N. | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2025-03-06T16:05:06Z | - |
| dc.date.available | 2025-06-25T09:51:00Z | - |
| dc.date.created | 2025-03-06T17:05:03.710832+01:00 | - |
| dc.date.issued | 2025-03-06T17:05:03.710832+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/342852 | - |
| dc.description | opt-freq | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.relation | Original title: Opposite Effects of Added AsPh3 Reveal a Drastic Mechanistic Switch in RhI/AuI Transmetalations via Rh−Au Bonded Intermediates DOI: 10.1021/acs.inorgchem.5c01081 Journal: Inorg. Chem. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-449 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.inorgchem.5c01081 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Profile_without_added_AsPh3 TS1_noAsPh3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-03-06T16:05:06Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | ES64L-G09RevE.01 | en |
| cml.method | RwB97XD | en |
| cml.basisset | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -11051.5009392 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C61H45As3Cl3F3AuORh | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Rh_Au_transmetalation - DOI: 10.19061/iochem-bd-6-449 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/342852
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