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Manuscript title: AlIII-Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201406334

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DC FieldValueLanguage
dc.contributor.authorGonzález Fabra, Joan-
dc.date.accessioned2016-02-29T09:17:47Z-
dc.date.available2016-02-29T09:17:47Z-
dc.date.created2016-02-29T10:17:45.56+01:00-
dc.date.issued2016-02-29T10:17:45.56+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/412-
dc.descriptionTS3b-trans-
dc.relationOriginal 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.rightshttp://creativecommons.org/licenses/by/4.0/-
dc.titleTS3b-trans-
dc.date.updated2016-02-29T09:17:47Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97D3en
cml.basisset6-311G**en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-1en
cml.energy.value-3793.31500434en
cml.energy.unitsEhen
cml.formula.genericC75H92Al2ClN2O10en
cml.calculationtypeGeometry optimization TSen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Mechanistic Study on Limonene Oxide and Carbon Dioxide Copolymerisation



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