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Manuscript title: Mechanistic Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction: Is one Metal Center enough?
Journal: ChemSusChem
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | González Fabra, Joan | - |
| dc.date.accessioned | 2016-10-17T13:34:52Z | - |
| dc.date.available | 2016-12-13T08:25:26Z | - |
| dc.date.created | 2016-10-17T15:34:51.461+02:00 | - |
| dc.date.issued | 2016-10-17T15:34:51.461+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1274 | - |
| dc.description | TS1 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Mechanistic Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction: Is one Metal Center enough? DOI: 10.1002/cssc.20160152 Journal: ChemSusChem | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-17 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Copolymerization | - |
| dc.subject | Carbon dioxide fixation | - |
| dc.subject | Density functional calculations | - |
| dc.subject | Homogeneous catalysis | - |
| dc.title | /Initiation_Insertion/TS1 TS1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2016-10-17T13:34:52Z | - |
| 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 | -1500.82494677 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C27H22AlCl6INO4 | 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 Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction - DOI: 10.19061/iochem-bd-1-17 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1274
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