Items where Subject is "Chemical Structure"

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 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.

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.

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.

2017

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.

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.

2018

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.

2019

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.

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.

2020

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.

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.

2021

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.

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.

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.

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.

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.

2022

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.

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.

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.

2023

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., 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.

2024

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.