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


Buchard, A., Gregory, G., 2016. DFT Modelling of the Propagation Step in the ROP of a mannose-based cyclic carbonate. University of Bath. https://doi.org/10.6084/m9.figshare.3470105.


Dataset abstract

DFT study of the reaction between TBD, 4-methyl benzylalcohol, and two molecule of 1-O-methyl-2,3-O-isopropylidene-4,6-O-carbonate-α-ᴅ-mannopyranose 1) ring-opening polymerization propagation step via a secondary alcohol chain data deposited in figshare repository DOI: 10.6084/m9.figshare.3469805 2) ring-opening polymerization propagation step via a primary alcohol chain data deposited in figshare repository DOI: 10.6084/m9.figshare.3470105

Title: DFT Modelling of the Propagation Step in the ROP of a mannose-based cyclic carbonate
Keywords: DFT,Polymers,Organocatalysis,Cyclic carbonate monomers,ring-opening polymerization
Departments: Faculty of Science > Chemistry
DOI: https://doi.org/10.6084/m9.figshare.3470105
URI: http://researchdata.bath.ac.uk/id/eprint/289
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