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Manuscript title: Entropic corrections for the evaluation of the catalytic activity in the Al(III) catalysed formation of cyclic carbonates from CO2 and epoxides

Journal: Catal. Sci. Technol.

DOI: 10.1039/c9cy01285k

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGonzález Fabra, Joan-
dc.date.accessioned2019-01-30T14:20:59Z-
dc.date.available2019-09-06T15:44:06Z-
dc.date.created2019-01-30T15:20:57.391+01:00-
dc.date.issued2019-01-30T15:20:57.391+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/17955-
dc.descriptionTS3-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Entropic corrections for the evaluation of the catalytic activity in the Al(III) catalysed formation of cyclic carbonates from CO2 and epoxides DOI: 10.1039/c9cy01285k Journal: Catal. Sci. Technol.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-110-
dc.relation.urihttp://dx.doi.org/10.1039/c9cy01285k*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Gas_Opt/M06_2X/TS3 TS3-
dc.typedataset-
dc.date.updated2019-01-30T14:20:59Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRM062Xen
cml.basisset6-311G**en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-1en
cml.energy.value-1690.40908375en
cml.energy.unitsEhen
cml.formula.genericC28H24AlCl6IN1O6en
cml.calculationtypeGeometry optimization TSen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Evaluation of the Catalytic Activity - DOI: 10.19061/iochem-bd-1-110



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