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Manuscript title: Experimental and Theoretical Investigation of the Synchronicity of Ambident Silyloxypyrone-Based (5 + 2) Cycloadditions
Journal: J. Org. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Guo, Wentao | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-02-09T06:45:21Z | - |
| dc.date.available | 2023-04-17T00:59:24Z | - |
| dc.date.created | 2023-02-09T07:45:18.85+01:00 | - |
| dc.date.issued | 2023-02-09T07:45:18.85+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/271402 | - |
| dc.description | - | |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.relation | Original title: Experimental and Theoretical Investigation of the Synchronicity of Ambident Silyloxypyrone-Based (5 + 2) Cycloadditions DOI: 10.1021/acs.joc.3c00318 Journal: J. Org. Chem. | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.joc.3c00318 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Cycloaddition | - |
| dc.title | /enone 2a | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-02-09T06:45:21Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.01 | en |
| cml.method | RM062X | en |
| cml.basisset | 6-31G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -1827.00548483 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C24H36O8Si | 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: | silyloxypyrone_5+2 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/271402
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