Ia.log (923.33 kB)View fileThis item contains files with download restrictions
TEXT
Ib.log (2.61 MB)View fileThis item contains files with download restrictions
TEXT
IIa.log (2.23 MB)View fileThis item contains files with download restrictions
TEXT
IIb.log (2.43 MB)View fileThis item contains files with download restrictions
TEXT
IIIa.log (3.66 MB)View fileThis item contains files with download restrictions
TEXT
IIIb.log (2.86 MB)View fileThis item contains files with download restrictions
TEXT
IVa.log (4.05 MB)View fileThis item contains files with download restrictions
TEXT
IVb.log (2.83 MB)View fileThis item contains files with download restrictions
TEXT
TS_I_IIa.log (2.87 MB)View fileThis item contains files with download restrictions
TEXT
TS_I_IIb.log (3.33 MB)View fileThis item contains files with download restrictions
TEXT
TS_III_IVa.log (1.17 MB)View fileThis item contains files with download restrictions
TEXT
TS_III_IVb.log (1.17 MB)View fileThis item contains files with download restrictions
TEXT
4MeBnOH.log (834.06 kB)View fileThis item contains files with download restrictions
TEXT
TBD.log (343.26 kB)View fileThis item contains files with download restrictions
Next page
Previous page
1/1
Switch ViewSwitch between different file views
Thumbnail viewList viewFile view
15 filesFullscreen
DFT study of the reaction between TBD, 4-methyl benzylalcohol initiator, and one molecule of N-methylthymidine cyclic carbonate (ring-opening polymerisation initiation step)
Georgina
L. Gregory,a Elizabeth M. Hierons,a Gabriele
Kociok-Köhn,a Ram Sharmab and Antoine Bucharda,*
a Department of Chemistry,
University of Bath, Bath BA2 7AY
b Department of Chemical
Engineering, University of Bath, Bath BA2 7AY
- DFT optimised geometries and computed free enthalpies of local minima (intermediates) and local maxima (transition states) were used to investigate the mechanism of the reaction between TBD, 4-methylbenzyl alcohol and 1 molecule of N-methylthymidine cyclic carbonate to account for the initiation step of ring-opening polymerisation.