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Manuscript title: Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates

Journal: ACS Catal.

DOI: 10.1021/acscatal.1c05773

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DC FieldValueLanguage
dc.contributor.authorVillar-Yanez, Alba-
dc.date.accessioned2021-09-29T10:45:09Z-
dc.date.available2022-02-15T13:06:14Z-
dc.date.created2021-09-29T12:45:08.021+02:00-
dc.date.issued2021-09-29T12:45:08.021+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/32196-
dc.descriptionTransition State 4: (R) Substrate Isomerization-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates DOI: 10.1021/acscatal.1c05773 Journal: ACS Catal.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-214-
dc.relation.urihttp://dx.doi.org/10.1021/acscatal.1c05773*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectKetocarbonates-
dc.subjectSilver-
dc.subjectDavePhos-
dc.subjectCarbon dioxide fixation-
dc.subjectHomogeneous catalysis-
dc.subjectCarbonate-
dc.titleTS-4_R-
dc.typedataset-
dc.date.updated2021-09-29T10:45:09Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodRPBE1PBEen
cml.basissetSDD SDD/DEF2TZVen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2278.68182020en
cml.energy.unitsEhen
cml.formula.genericC37H45NO4PAgen
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ketocarbonates_from_alkyne-diol_with_Silver-based_Catalyst (DavePhos_and_Silver_Acetate) - DOI: 10.19061/iochem-bd-1-214



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/32196

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