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

Dataset

Description

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
Date made available21 Sep 2016
PublisherUniversity of Bath
Date of data production1 Jan 2016 - 13 Jul 2016

Cite this

Buchard, A. (Creator), Gregory, G. (Creator)(21 Sep 2016). DFT Modelling of the Propagation Step in the ROP of a mannose-based cyclic carbonate. University of Bath. 10.6084/m9.figshare.3470105