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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-3168.13171824en
cml.energy.unitsEhen
cml.formula.genericC61H70Al2IN2O9en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1CC(C)C2O[Al]3456OC7C(C)CC(C)CC7C[N-4]3(CC2C1)CC1CC(C)CC(C)C1[O-3]4[Al]123(OC4C(C)CC(C)CC4C[N-4]1(CC1CC(C)CC(C)C1O2)CC1CC(C)CC(C)C1[O-3]53)[O-3]6C(O)OC1CCCCC1Ien
dc.contributor.authorGonzález Fabra, Joan-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2016-10-17T13:32:48Z-
dc.date.accessioned2019-05-04T09:20:56Z-
dc.date.available2016-12-13T08:25:27Z-
dc.date.available2019-05-04T09:20:56Z-
dc.date.created2016-10-17T15:32:47.236+02:00-
dc.date.issued2016-10-17T15:32:47.236+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/1517-
dc.descriptionSOLV-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal 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.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-17-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCopolymerization-
dc.subjectCarbon dioxide fixation-
dc.subjectDensity functional calculations-
dc.subjectHomogeneous catalysis-
dc.title/Dimer/Al_Me_I/Insertion/Int3/SOLV SOLV-
dc.typedataset-
dc.date.updated2016-10-17T13:32:48Z-
Appears in Collections:Mechanistic Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction

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Manuscript title: Mechanistic Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction: Is one Metal Center enough?

Journal: ChemSusChem

DOI: 10.1002/cssc.20160152



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/1517

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