Full metadata record
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-1998.47148795en
cml.energy.unitsEhen
cml.formula.genericC38H46AlClNO6en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1CC(C)C2O[AlH]34(OC5C(C)CCCC5C[N-4]3(CC2C1)CC1CC(C)CC(C)C1O4)[O-3](C(O)O)C1CC(CCC1(C)Cl)C(C)Cen
dc.contributor.authorGonzález Fabra, Joan-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2016-02-29T09:20:50Z-
dc.date.available2016-02-29T09:20:50Z-
dc.date.created2016-02-29T10:20:48.741+01:00-
dc.date.issued2016-02-29T10:20:48.741+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/523-
dc.descriptionLO-int2a1-cis-
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.titleLO-int2a1-cis-
dc.date.updated2016-02-29T09:20:50Z-
Appears in Collections:Mechanistic Study on Limonene Oxide and Carbon Dioxide Copolymerisation

Actions:

View dataDownload geometry
Files in This Item:
File Description Size 
LO-int2a1-cis.in7.85 kBDownload
output.cml1.56 MBDownload
Referenced by:

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/10/1894

Item files in Find  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License