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dc.contributor.authorLi, Yingzi
dc.date.accessioned2025-07-17T10:41:06Z-
dc.date.available2025-07-17T12:40:55.981646+02:00
dc.date.available2025-07-17T10:41:06Z-
dc.date.created2025-07-17T12:40:55.981646+02:00
dc.date.issued2025-07-17T12:40:55.981646+02:00
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/100636-
dc.description.abstractSp
dc.publisherInstitute of Chemical Research of Catalonia
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-392-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleTS2_m06
dc.typedataset
cml.program.nameGaussian
cml.program.version16
cml.program.otherES64L-G16RevA.03
cml.methodUM06
cml.basissetGENECP
cml.multiplicity2
cml.spintypeUnrestricted
cml.charge0
cml.energy.value-6507.7987324
cml.energy.unitsEh
cml.formula.genericC58H53BrNO11P2Pd
cml.calculationtypeSingle point Structure
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:Pd-Catalyzed Stereospecific Glycosyl Cross-Coupling of Reversed Anomeric Stannanes for Modular Synthesis of Nonclassical C-Glycosides - DOI: 10.19061/iochem-bd-1-392



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/100636

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