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DFT characterization (wB97XD/def2-TZVP/SDD(Rh)) of 0L and 1L catalytic cycles of Rh-catalyzed hydroformylation of ethylene to propenal.

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-345

This dataset derived results are published in:

Manuscript title: Microkinetic Assessment of Ligand-Exchanging Catalytic Cycles

Journal: ACS Catal.

DOI: 10.1021/acscatal.5c00348