DFT Modelling of the Initiation Step in the ROP of a mannose-based cyclic carbonate



DFT study of the reaction between TBD, 4-methyl benzylalcohol initiator, and one molecule of 1-O-methyl-2,3-O-isopropylidene-4,6-O-carbonate-α-ᴅ-mannopyranose (ring-opening polymerization initiation step).
Data deposited in figshare repository: DOI: 10.6084/m9.figshare.3469466
Date made available21 Sept 2016
PublisherUniversity of Bath
Date of data production1 Jan 2016 - 13 Jul 2016

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