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Manuscript title: Mechanistic insights into the rhodium catalysed dehydrogenative cycloaddition of cyano-yne-allene substrates
DOI: 10.1039/D4QO00378K
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | diaz, alex | - |
| dc.date.accessioned | 2024-02-27T15:38:04Z | - |
| dc.date.available | 2024-05-07T13:41:20Z | - |
| dc.date.created | 2024-02-27T16:38:02.957+01:00 | - |
| dc.date.issued | 2024-02-27T16:38:02.957+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu/browse/handle/100/5178 | - |
| dc.description | TSB1B2 | - |
| dc.publisher | UdG | - |
| dc.publisher | IQCC | - |
| dc.relation | Original title: Mechanistic insights into the rhodium catalysed dehydrogenative cycloaddition of cyano-yne-allene substrates DOI: 10.1039/D4QO00378K | * |
| dc.relation.uri | http://dx.doi.org/10.1039/D4QO00378K | * |
| dc.rights | CC BY 4.0 (c) UdG, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Rhodium | - |
| dc.subject | Cycloaddition | - |
| dc.title | TSB1B2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-02-27T15:38:04Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.method | RB3LYP | en |
| cml.basisset | CC-PVDZ GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -2767.77954055 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C29H29ClN2O3PRhS | 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: | Allene-yne-nitrile | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/5178
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