Items where Creator or Contributor is "Buchard, Antoine"

2013

Buchard, A., 2013. ROP of R-manOCA: DFT study. Figshare. Available from: https://doi.org/10.6084/m9.figshare.786543.

2014

Buchard, A., 2014. Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2. Figshare. Available from: https://doi.org/10.6084/m9.figshare.1190538.

Buchard, A., 2014. Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand. Figshare. Available from: https://doi.org/10.6084/m9.figshare.1189338.

2015

Buchard, A., 2015. DFT study of β-diketiminato iron(II) alkyl and phosphido complexes. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.6084/m9.figshare.1506682.

Buchard, A., 2015. DFT study of the hydrogen transfer step in the 4-benzoyloxy-TEMPO catalysed oxidation of alcohols. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.6084/m9.figshare.1513781.

Buchard, A., 2015. DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide. Figshare. Available from: https://doi.org/10.6084/m9.figshare.1420458.

Buchard, A., Gregory, G., 2015. DFT study of the reaction between DBU, CO2 and (R)-1,3-butanediol to form cyclic carbonate (R)-4-Methyl-[1,3]-dioxan-2-one. Figshare. Available from: https://doi.org/10.6084/m9.figshare.1333535.

Buchard, A., Gregory, G., 2015. DFT study of the tosylation and cyclisation steps in the synthesis of cyclic carbonate (R)-4-Methyl-[1,3]-dioxan-2-one from CO2 and (R)-1,3-butanediol. Figshare. Available from: https://doi.org/10.6084/m9.figshare.1333544.

Jones, M., Buchard, A., McKeown, P., Brady, L., Lowe, J., Mahon, M., Thomas, L., Woodman, T., 2015. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived Salan ligands for the polymerisation of rac-lactide. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/cc1j1ky2.

2016

Buchard, A., Gregory, G., 2016. DFT Modelling of Ring-opening Thermodynamics of mannose-based cyclic carbonate. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.6084/m9.figshare.3469373.

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

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

Buchard, A., 2016. DFT study of the oxidation of primary alcohols by TEMPO+ cation in presence of NaCO3- buffer: concerted hydride transfer pathway. Figshare. Available from: https://doi.org/10.6084/m9.figshare.3079963.

Buchard, A., 2016. DFT study of the oxidation of primary alcohols by TEMPO+ cation in presence of NaCO3- buffer: deprotonation/cyclic intermediate pathway. Figshare. Available from: https://doi.org/10.6084/m9.figshare.3079966.