Items where Subject is "Chemical Structure"

A

Askey, H., Grayson, J., Tibbetts, J., Turner-Dore, J., Holmes, J., Kociok-Kohn, G., Wrigley, G., Cresswell, A., 2021. CCDC 2093033: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc287z6q.

B

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., 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., 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.

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

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.

C

Courtenay, J., Jin, Y., Schmitt, J., Hossain, K., Mahmoudi, N., Edler, K., Scott, J., 2021. Dataset for "Salt-Responsive Pickering Emulsions Stabilized by Functionalized Cellulose Nanofibrils". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01013.

E

Edler, K., Hammond, O., 2021. Dataset for "Structural Evolution of Iron Forming Iron Oxide in a Deep Eutectic-Solvothermal Reaction". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00954.

H

Hammond, O., Atri, R., Bowron, D., Edler, K., 2022. Dataset supporting "Neutron diffraction study of indole solvation in deep eutectic systems of choline chloride, malic acid, and water". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01138.

Hammond, O., Sanchez Fernandez, A., Dalgliesh, R., Smith, A., Edler, K., 2022. Data supporting "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01222.

M

Miles, D., 2015. Dataset supporting "Hierarchical 3D ZnO Nanowire Structures via Fast Anodization of Zinc" published in Journal of Materials Chemistry A, 2015. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00078.

N

Nearchou, A., 2020. Dataset for "Zeolites fit for a Crown: Probing Host-Guest Interactions with Thermogravimetric Methods". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00427.

Nearchou, A., Cornelius, M., 2019. Dataset for "Pressure-induced symmetry changes in body-centred cubic zeolites". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00580.

Nearchou, A., Cornelius, M., Skelton, J., 2019. Dataset for "Intrinsic flexibility of the EMT zeolite framework under pressure". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00560.

P

Pering, S., Kubiak, P., Deng, W., Niemann, R., Brivio, F., Ghosh, D., Troughton, J., Jeffrey, F., Johnson, A., Lewis, S., Walker, A., Watson, T., Islam, S., Raithby, P., Cameron, P., 2018. Raw Data for Azetidinium Lead Iodide for Perovskite Solar Cells. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00432.

Price, L., 2021. Dataset for "Determining the structure of zeolite frameworks at high pressures". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00861.

Price, L., Sartbaeva, A., Jones, Z., Nearchou, A., Stenning, G., Nye, D., 2022. Dataset for "The Effect of Cation Exchange on the Pore Geometry of Zeolite L". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00648.

R

Richardson, G., Douair, I., Cameron, S., Bracegirdle, J., Keyzers, R., Hill, M., Maron, L., Anker, M., 2021. CCDC 2032028: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc266h97.

Richardson, G., Douair, I., Cameron, S., Bracegirdle, J., Keyzers, R., Hill, M., Maron, L., Anker, M., 2021. CCDC 2032029: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc266hb8.

Richardson, G., Douair, I., Cameron, S., Bracegirdle, J., Keyzers, R., Hill, M., Maron, L., Anker, M., 2021. CCDC 2032030: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc266hc9.

Richardson, G., Douair, I., Cameron, S., Bracegirdle, J., Keyzers, R., Hill, M., Maron, L., Anker, M., 2021. CCDC 2032031: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc266hdb.

Richardson, G., Douair, I., Cameron, S., Bracegirdle, J., Keyzers, R., Hill, M., Maron, L., Anker, M., 2021. CCDC 2034334: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc268wp2.

Richardson, G., Douair, I., Cameron, S., Bracegirdle, J., Keyzers, R., Hill, M., Maron, L., Anker, M., 2021. Experimental Crystal Structure Determinations for "Hydroarylation of olefins catalysed by a dimeric ytterbium(II) alkyl". Cambridge Crystallographic Data Centre.

S

Salmon, P., 2017. Data sets for the Journal of Physics: Condensed Matter article entitled “Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction”. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00343.

Salmon, P., Zeidler, A., 2023. Data sets for "Mapping the structural trends in zinc aluminosilicate glasses". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01200.

Salmon, P., Zeidler, A., 2024. Data sets for "Pressure dependent structure of amorphous magnesium aluminosilicates: The effect of replacing magnesia by alumina at the enstatite composition". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01238.

Salmon, P., Zeidler, A., 2022. Data sets for "Structural model for amorphous aluminosilicates". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01093.

Salmon, P., Zeidler, A., 2022. Data sets for "Structure and related properties of amorphous magnesium aluminosilicates". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01139.

Salmon, P., Zeidler, A., 2022. Data sets for "Structure of diopside, enstatite and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01192.

Salmon, P., Zeidler, A., 2023. Data sets for article entitled "Ring compaction as a mechanism of densification in amorphous silica". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01106.

Salmon, P., Zeidler, A., 2019. Data sets for the Frontiers in Materials article entitled "Structure of the intermediate phase glasses GeSe3 and GeSe4: The deployment of neutron diffraction with isotope substitution". Version 2. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00664.

Salmon, P., Zeidler, A., 2019. Data sets for the Journal of Non-Crystalline Solids X: Article entitled "Pressure induced structural transformations in amorphous MgSiO_3 and CaSiO_3". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00601.

Salmon, P., Zeidler, A., 2019. Data sets for the Journal of Statistical Mechanics: Theory and Experiment article entitled "Ordering on different length scales in liquid and amorphous materials". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00600.

Sartbaeva, A., Wells, S., 2017. Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00399.

Skelton, J., 2017. Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00440.

Skelton, J., 2015. Data for "Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00137.

Skelton, J., 2015. Data for "Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00136.

W

Wayment, L., 2020. Dataset for "Continuous flow for materials synthesis, assembly and crystallisation at Diamond: discovery and delivery of high value materials". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00779.