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DC FieldValueLanguage
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-3793.38054722en
cml.energy.unitsEhen
cml.formula.genericC75H92Al2ClN2O10en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1CC(C)C2O[AlH]34(OC(O)OC5CC(CCC5(C)Cl)C(C)C)OC5C(C)CC(C)CC5C[N-4]3(CC2C1)CC1CC(C)CC(C)C1O4.CC1CC(C)C2O[AlH2]3(OC4CC(CCC4C)C(C)C)OC4C(C)CC(C)CC4CN(CC2C1)CC1CC(C)CC(C)C1O3.[HH]en
dc.contributor.authorGonzález Fabra, Joan-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2016-02-29T09:15:59Z-
dc.date.available2016-02-29T09:15:59Z-
dc.date.created2016-02-29T10:15:58.221+01:00-
dc.date.issued2016-02-29T10:15:58.221+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/348-
dc.descriptionTS3a-cis-trans-solv-
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.titleTS3a-cis-trans-solv-
dc.date.updated2016-02-29T09:15:59Z-
Appears in Collections:Mechanistic Study on Limonene Oxide and Carbon Dioxide Copolymerisation

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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



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/1719

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