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Manuscript title: Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Villar-Yanez, Alba | - |
| dc.date.accessioned | 2021-09-29T10:45:24Z | - |
| dc.date.available | 2022-02-15T13:06:13Z | - |
| dc.date.created | 2021-09-29T12:45:23.048+02:00 | - |
| dc.date.issued | 2021-09-29T12:45:23.048+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/32201 | - |
| dc.description | Substrate (S)-AgDavePhos with HOAc | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates DOI: 10.1021/acscatal.1c05773 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-214 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.1c05773 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Ketocarbonates | - |
| dc.subject | Silver | - |
| dc.subject | DavePhos | - |
| dc.subject | Carbon dioxide fixation | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | Carbonate | - |
| dc.title | G_S | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-09-29T10:45:24Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | RPBE1PBE | en |
| cml.basisset | SDD SDD/DEF2TZV | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -2507.51627198 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C39H49NO6PAg | 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: | Ketocarbonates_from_alkyne-diol_with_Silver-based_Catalyst (DavePhos_and_Silver_Acetate) - DOI: 10.19061/iochem-bd-1-214 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/32201
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