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Manuscript title: Domino Synthesis of Bicyclic 3,5-Anhydro Furanose Mimics Using a Binary Al(III) Complex/Halide Catalyst
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Garay Ruiz, Diego | - |
| dc.date.accessioned | 2022-02-11T08:55:15Z | - |
| dc.date.available | 2022-04-28T13:46:56Z | - |
| dc.date.created | 2022-02-11T09:55:14.497+01:00 | - |
| dc.date.issued | 2022-02-11T09:55:14.497+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/36223 | - |
| dc.description | TS1A, WB97XD/6-311G(d,p) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Domino Synthesis of Bicyclic 3,5-Anhydro Furanose Mimics Using a Binary Al(III) Complex/Halide Catalyst DOI: 10.1021/acscatal.2c00925 Journal: ACS Catal. | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.2c00925 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Heterocycles | - |
| dc.subject | organometallic catalysis | - |
| dc.subject | Aluminum catalysis | - |
| dc.subject | DFT | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | bisepoxyalcohol | - |
| dc.subject | bicycle formation | - |
| dc.title | /Pathway_c4c5_nocat TS1A | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-02-11T08:55:15Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RwB97XD | en |
| cml.basisset | 6-311G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -3226.22114628 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C11H12BrO3 | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Bisepoxyalcohol cyclization - DOI: 10.19061/iochem-bd-1-232 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/36223
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