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Manuscript title: Computational Characterization of the Mechanism for the Light-Driven Catalytic Trichloromethylation Of Acylpyridines

Journal: Organic & Biomolecular Chemistry

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DC FieldValueLanguage
dc.contributor.authorFernández, Víctor-
dc.date.accessioned2017-09-29T16:34:29Z-
dc.date.available2017-09-29T16:34:29Z-
dc.date.created2017-09-29T18:34:28.139+02:00-
dc.date.issued2017-09-29T18:34:28.139+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/5589-
dc.description1-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Computational Characterization of the Mechanism for the Light-Driven Catalytic Trichloromethylation Of Acylpyridines Journal: Organic & Biomolecular Chemistry-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectHomogeneous catalysis-
dc.subjectPhotocatalysis-
dc.subjectEnantioselectivity-
dc.subjectReaction mechanisms-
dc.subjectAsymmetric catalysis-
dc.title1-
dc.typedataset-
dc.date.updated2017-09-29T16:34:29Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRwB97XDen
cml.basisset6-31+g(d)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-440.126977109en
cml.energy.unitsEhen
cml.formula.genericC8H9NOen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Trichloromethylation_of_acylpyridines



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