ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
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 | 2016-02-29T09:16:42Z | - |
| dc.date.available | 2016-02-29T09:16:42Z | - |
| dc.date.created | 2016-02-29T10:16:41.639+01:00 | - |
| dc.date.issued | 2016-02-29T10:16:41.639+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/374 | - |
| dc.description | Scan3b-trans-trans | - |
| 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 | Scan3b-trans-trans | - |
| dc.date.updated | 2016-02-29T09:16:42Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB97D3 | en |
| cml.basisset | 6-31G* | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -3792.33212967 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C75H92Al2ClN2O10 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | 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/100/374
Item files in Browse 
HTML5 resume (see conditions inside)