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


Buchard, A., Gregory, G., 2016. DFT Modelling of the Initiation Step in the ROP of a mannose-based cyclic carbonate. University of Bath. https://doi.org/10.6084/m9.figshare.3469466.


Dataset abstract

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

Title: DFT Modelling of the Initiation Step in the ROP of a mannose-based cyclic carbonate
Keywords: DFT,reaction mechanism,ring-opening polymerization,organocatalysis,cyclic carbonate monomers
Departments: Faculty of Science > Chemistry
DOI: https://doi.org/10.6084/m9.figshare.3469466
URI: https://researchdata.bath.ac.uk/id/eprint/288
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