Actions:

View dataDownload geometry
Files in This Item:
File  
Int2a2-trans-solv.inDownload
output.cmlDownload
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

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGonzález Fabra, Joan-
dc.date.accessioned2016-02-29T09:21:02Z-
dc.date.available2016-02-29T09:21:02Z-
dc.date.created2016-02-29T10:21:00.744+01:00-
dc.date.issued2016-02-29T10:21:00.744+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/531-
dc.descriptionInt2a2-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.titleInt2a2-trans-solv-
dc.date.updated2016-02-29T09:21:02Z-
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-1998.51907924en
cml.energy.unitsEhen
cml.formula.genericC38H46AlClNO6en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Mechanistic Study on Limonene Oxide and Carbon Dioxide Copolymerisation



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/531

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