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Manuscript title: AlIII-Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | González Fabra, Joan | - |
| dc.date.accessioned | 2016-02-29T09:18:02Z | - |
| dc.date.available | 2016-02-29T09:18:02Z | - |
| dc.date.created | 2016-02-29T10:18:00.643+01:00 | - |
| dc.date.issued | 2016-02-29T10:18:00.643+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/420 | - |
| dc.description | TS3b-cis | - |
| dc.relation | Original title: AlIII-Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity DOI: 10.1002/chem.201406334 Journal: Chem. Eur. J. | * |
| dc.rights | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TS3b-cis | - |
| dc.date.updated | 2016-02-29T09:18:02Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB97D3 | en |
| cml.basisset | 6-311G** | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -3793.31167992 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C75H92Al2ClN2O10 | 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: | Mechanistic Study on Limonene Oxide and Carbon Dioxide Copolymerisation | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/420
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