Department of Chemistry

Search results

• Data set for Carbonation of Hydrous Materials at the Molecular Level: a ToF-SIMS, Raman and DFT Study

  Grant, J. (Creator), Pesce, G. (Creator), Parker, S. (Creator), Molinari, M. (Creator) & Ball, R. (Creator), University of Bath, 2 Feb 2017

  DOI: 10.15125/BATH-00240

  Dataset

• Dataset for "A mild conditions synthesis route to produce hydrosodalite from kaolinite, compatible with extrusion processing"

  Marsh, A. (Creator) & Patureau, P. (Researcher), University of Bath, 7 Feb 2019

  DOI: 10.15125/BATH-00590

  Dataset

• Dataset for "Alkali activation behaviour of un-calcined montmorillonite and illite clay minerals"

  Marsh, A. (Creator), Heath, A. (Supervisor), Patureau, P. (Supervisor), Evernden, M. (Supervisor) & Walker, P. (Supervisor), University of Bath, 7 Feb 2019

  DOI: 10.15125/BATH-00591

  Dataset

• Dataset for "Partial Cation Substitution Reduces Iodide Ion Transport in Lead Iodide Perovskite Solar Cells"

  Cameron, P. (Creator), Pering, S. (Data Collector), Ferdani, D. (Data Collector), Ghosh, D. (Researcher), Islam, M. (Supervisor) & Walker, A. (Supervisor), University of Bath, 8 Nov 2019

  DOI: 10.15125/BATH-00528, http://www.rsc.org/suppdata/c9/ee/c9ee00476a/c9ee00476a1.pdf

  Dataset

• Nanofiltration and reverse osmosis membranes for purification and concentration of a 2,3-butanediol producing gas fermentation broth

  Davey, C. (Creator), Patterson, D. (Supervisor) & Leak, D. (Supervisor), University of Bath, 14 Jul 2016

  DOI: 10.15125/BATH-00212

  Dataset

• Data for Arylboronic Acid-Catalyzed C-Alkylation and Allylation Reactions Using Benzylic Alcohols

  Estopina-Duran, S. (Creator), Mclean, E. (Creator), Donnelly, L. (Creator), Hockin, B. (Creator) & Taylor, J. E. (Creator), University of Bath, 17 Sept 2020

  DOI: 10.15125/BATH-00892

  Dataset

• Data for Brønsted Acid-Catalyzed Desilylative Heterocyclization to form Substituted Furans

  Babcock, E. (Creator), Rahman, S. (Creator) & Taylor, J. (Creator), University of Bath, 5 Dec 2022

  DOI: 10.15125/BATH-01178

  Dataset

• CCDC 2093033: Experimental Crystal Structure Determination

  Askey, H. (Creator), Grayson, J. (Creator), Tibbetts, J. (Creator), Turner-Dore, J. (Creator), Holmes, J. M. (Creator), Kociok-Kohn, G. (Creator), Wrigley, G. L. (Creator) & Cresswell, A. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc287z6q

  Dataset

• Dataset for "Multi-Enzyme Cellulose Films as Sustainable and Self-Degradable Hydrogen Peroxide Producing Material"

  Califano, D. (Creator), University of Bath, 17 Nov 2020

  DOI: 10.15125/BATH-00736

  Dataset

• Dataset for "Rigidity, normal modes and flexible motion of a SARS-CoV-2 (COVID19) protease structure"

  Wells, S. (Creator), University of Bath, 9 Mar 2020

  DOI: 10.15125/BATH-00772

  Dataset

• Data supporting: Resilience of Malic Acid Natural Deep Eutectic Solvent Nanostructure to Solidification and Hydration

  Hammond, O. (Creator), Edler, K. (Creator) & Sanchez Fernandez, A. (Creator), University of Bath, 2017

  DOI: 10.15125/BATH-00401

  Dataset

• Dataset on experimental data available in the literature on "Medium chain carboxylic acids from complex organic feedstock by mixed culture fermentation"

  De Groof, V. (Creator), Coma Bech, M. (Creator), Arnot, T. (Creator), Leak, D. (Creator) & Lanham, A. (Creator), University of Bath, 22 Jan 2019

  DOI: 10.15125/BATH-00584

  Dataset

• Dataset for "Antagonistic Mixing in Micelles of Amphiphilic Polyoxometalates and Hexaethylene Glycol Monododecyl Ether"

  Di, A. (Creator), Schmitt, J. (Creator), Ma, K. (Creator), Alves Da Silva, M. (Creator), Elstone, N. (Creator), Mahmoudi, N. (Creator), Li, P. (Creator), Washington, A. (Creator), Wang, Z. (Creator), Errington, J. (Creator) & Edler, K. (Creator), University of Bath, 10 Jun 2020

  DOI: 10.15125/BATH-00845

  Dataset

• Dataset for "Systematic Design and Characterisation of Photoelectrodes for Light-Driven Water Splitting", a PhD Thesis

  Harris-Lee, T. R. (Creator), University of Bath, 22 Apr 2024

  DOI: 10.15125/BATH-01391

  Dataset

• Dataset for "Thermal resilience of ensilicated lysozyme via calorimetric and in vivo analysis"

  Doekhie, A. (Creator), Slade, M. (Creator), Castaing, R. (Creator), Edler, K. (Creator), Koumanov, F. (Creator), Van Den Elsen, J. (Creator), Marchbank, K. (Creator) & Sartbaeva, A. (Creator), University of Bath, 12 Aug 2020

  DOI: 10.15125/BATH-00895

  Dataset

• Monte Carlo code, input files, and simulation outputs for contact-based collective move simulations of MOF formations (cobalt succinate)

  Wells, S. (Creator) & Düren, T. (Creator), University of Bath, 8 May 2019

  DOI: 10.15125/BATH-00517

  Dataset

• Supporting data for "Ab initio thermodynamic model of Cu2ZnSnS4"

  Jackson, A. (Creator) & Walsh, A. (Creator), Zenodo, 2015

  DOI: 10.5281/zenodo.18732, https://github.com/WMD-Bath/CZTS-model

  Dataset

• Dataset for "Membrane extraction with styrene-maleic acid copolymer results in insulin receptor autophosphorylation in the absence of ligand"

  Morrison, K. (Creator), Whitley, P. (Creator) & Koumanov, F. (Creator), University of Bath, 3 Mar 2022

  DOI: 10.15125/BATH-01041

  Dataset

• Dataset for "Structural Evolution of Iron Forming Iron Oxide in a Deep Eutectic-Solvothermal Reaction"

  Edler, K. (Creator) & Hammond, O. (Creator), University of Bath, 2 Jan 2021

  DOI: 10.15125/BATH-00954

  Dataset

• Dataset for "Physiochemical Changes to TTCF Ensilication Investigated Using Time-Resolved SAXS"

  Doekhie, A. (Creator), Dattani, R. (Data Collector), Chen, Y.-C. (Project Member), Koumanov, F. (Project Member), Edler, K. (Project Member), Van Den Elsen, J. (Project Member) & Sartbaeva, A. (Project Manager), University of Bath, 5 Aug 2021

  DOI: 10.15125/BATH-01058

  Dataset

• Dataset for "Salt-Responsive Pickering Emulsions Stabilized by Functionalized Cellulose Nanofibrils"

  Courtenay, J. C. (Creator), Jin, Y. (Creator), Schmitt, J. (Creator), Hossain, K. M. Z. (Creator), Mahmoudi, N. (Creator), Edler, K. (Creator) & Scott, J. L. (Creator), University of Bath, 3 Jun 2021

  DOI: 10.15125/BATH-01013

  Dataset

• Dataset for "Determining the structure of zeolite frameworks at high pressures"

  Price, L. (Creator), Sartbaeva, A. (Project Leader), Wells, S. (Contributor), Ridley, C. (Contributor) & Bull, C. (Contributor), University of Bath, 20 Jul 2021

  DOI: 10.15125/BATH-00861

  Dataset

• Dataset for "Ensilicated tetanus antigen retains immunogenicity: in vivo study and time-resolved SAXS characterization"

  Doekhie, A. (Creator), Sartbaeva, A. (Creator), Koumanov, F. (Creator), Van Den Elsen, J. (Creator), Edler, K. (Creator) & Wells, S. (Creator), University of Bath, 8 Jun 2020

  DOI: 10.15125/BATH-00771

  Dataset

• Supporting information for "Valence band structure of ReSe2 investigated by angle-resolved photoemission spectroscopy"

  Wolverson, D. (Creator), Hart, L. (Data Collector), Webb, J. (Data Collector), Mucha-Kruczynski, M. (Data Collector), Bending, S. (Data Collector) & Dale, S. (Data Collector), University of Bath, 24 Jan 2017

  DOI: 10.15125/BATH-00332

  Dataset

• Molecular Weight Cut-Off Determination of Organic Solvent Nanofiltration Membranes Using Poly(propylene) Glycols

  Davey, C. (Creator), University of Bath, 2016

  DOI: 10.15125/BATH-00222

  Dataset

• Dataset for "Selecting fermentation products for food waste valorisation with HRT and OLR as the key operational parameters"

  De Groof, V. (Creator), Coma Bech, M. (Creator), Arnot, T. (Creator), Leak, D. (Creator) & Lanham, A. (Creator), University of Bath, 28 Apr 2021

  DOI: 10.15125/BATH-00946, https://www.ebi.ac.uk/ena/browser/view/PRJEB40478

  Dataset

• Variation in Surface Energy and Reduction Drive of a Metal Oxide Lithium-Ion Anode with Stoichiometry: A DFT Study of Lithium Titanate Spinel Surfaces

  Teobaldi, G. (Creator), Carrasco, J. (Project Member) & Morgan, B. (Researcher), University of Liverpool, 12 Oct 2016

  DOI: 10.17638/datacat.liverpool.ac.uk/209

  Dataset

• Dataset for "Rheological Modification of Partially Oxidised Cellulose Nanofibril Gels with Inorganic Clays"

  Bryant, S. (Creator), Calabrese, V. (Creator), Alves Da Silva, M. (Creator), Hossain, K. M. Z. (Creator), Scott, J. L. (Creator) & Edler, K. (Creator), University of Bath, 2 Jun 2021

  DOI: 10.15125/BATH-00791

  Dataset

• ROP of R-manOCA: DFT study

  Buchard, A. (Creator), Davidson, M. (Project Leader) & Carbery, D. (Project Leader), Figshare, 3 Sept 2013

  DOI: 10.6084/m9.figshare.786543, http://dx.doi.org/10.6084/m9.figshare.786543

  Dataset

• CCDC 2032029: Experimental Crystal Structure Determination

  Richardson, G. (Creator), Douair, I. (Creator), Cameron, S. (Creator), Bracegirdle, J. (Creator), Keyzers, R. (Creator), Hill, M. (Creator), Maron, L. (Creator) & Anker, M. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc266hb8

  Dataset

• CCDC 2032031: Experimental Crystal Structure Determination

  Richardson, G. (Creator), Douair, I. (Creator), Cameron, S. (Creator), Bracegirdle, J. (Creator), Keyzers, R. (Creator), Hill, M. (Creator), Maron, L. (Creator) & Anker, M. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc266hdb

  Dataset

• Dataset for "Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study"

  Morgan, B. (Creator), Zenodo, 2 Jul 2017

  DOI: 10.5281/zenodo.821864

  Dataset

• Computational Dataset for "Reversible Magnesium and Aluminium-ions Insertion in Cation-Deficient Anatase TiO2"

  Morgan, B. (Creator), Salanne, M. (Creator) & Dambournet, D. (Creator), University of Bath, 11 Jul 2017

  DOI: 10.15125/BATH-00397

  Dataset

• Dataset for "Predicting Ligand-Free Cell Attachment on Next Generation Cellulose-Chitosan Hydrogels"

  Johns, M. (Creator), Bae, Y. H. (Creator), Guimarães, F. (Creator), Lanzoni, E. M. (Creator), Costa, C. A. (Creator), Deneke, C. (Creator), Galembeck, F. (Creator), Scott, J. L. (Creator) & Sharma, R. (Creator), University of Bath, 25 Jan 2018

  DOI: 10.15125/BATH-00400

  Dataset

• Dataset for "Filler size effect in an attractive fibrillated network: a structural and rheological perspective"

  Calabrese, V. (Creator), Alves Da Silva, M. (Creator), Porcar, L. (Creator), Bryant, S. (Creator), Hossain, K. M. Z. (Creator), Scott, J. L. (Creator) & Edler, K. (Creator), University of Bath, 5 Feb 2020

  DOI: 10.15125/BATH-00762

  Dataset

• CCDC 2032031: Experimental Crystal Structure Determination

  Richardson, G. (Creator), Douair, I. (Creator), Cameron, S. (Creator), Bracegirdle, J. (Creator), Keyzers, R. (Creator), Hill, M. (Creator), Maron, L. (Creator) & Anker, M. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc266hdb

  Dataset

• CCDC 2032028: Experimental Crystal Structure Determination

  Richardson, G. (Creator), Douair, I. (Creator), Cameron, S. (Creator), Bracegirdle, J. (Creator), Keyzers, R. (Creator), Hill, M. (Creator), Maron, L. (Creator) & Anker, M. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc266h97

  Dataset

• Data for thesis "Diagnostic and Theranostic Sensor Systems"

  Odyniec, M. (Creator), Bull, S. (Creator) & James, T. (Creator), University of Bath, 1 Apr 2020

  DOI: 10.15125/BATH-00702

  Dataset

• Dataset for "Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers"

  McCluskey, A. (Creator), Sanchez Fernandez, A. (Creator), Edler, K. (Creator), Parker, S. (Creator), Jackson, A. (Creator), Campbell, R. (Creator) & Arnold, T. (Creator), University of Bath, 26 Feb 2019

  DOI: 10.15125/BATH-00548, https://github.com/arm61/lipids_at_airdes

  Dataset

• Dataset for Elucidation of the mechanisms of action of Bacteriophage K / nano-emulsion formulations against S. aureus via measurement of particle size and zeta potential

  Perez Esteban, P. (Creator), Jenkins, T. (Creator) & Arnot, T. (Creator), University of Bath, Dec 2015

  DOI: 10.15125/BATH-00166

  Dataset

• An experimental and computational study to resolve the composition of dolomitic lime.

  Grant, J. (Creator), Pesce, G. (Creator), Ball, R. (Creator) & Parker, S. (Creator), University of Bath, 18 Jan 2016

  DOI: 10.15125/BATH-00170

  Dataset

• DFT dataset: X=(Li,Na,Ca,Mg,Al) Intercalation into (F/OH)-Substituted Anatase TiO2

  Morgan, B. (Creator), University of Bath, 29 Mar 2018

  DOI: 10.15125/BATH-00473

  Dataset

• DFT Data Analysis: Intercalation of X=(Li, Na, Mg, Ca, Al) into (F/OH)-substituted anatase TiO2

  Morgan, B. (Creator), Zenodo, 20 Feb 2018

  DOI: 10.5281/zenodo.1181872, https://github.com/bjmorgan/data_F-TiO2_intercalation_anions

  Dataset

• Dataset for "Machine learning reaction barriers in low data regimes: a horizontal and diagonal transfer learning approach"

  Espley, S. (Creator), Farrar, E. (Creator), Grayson, M. (Supervisor), Tomasi, S. (Supervisor) & Buttar, D. (Supervisor), University of Bath, 31 May 2023

  DOI: 10.15125/BATH-01229

  Dataset

• Dataset for Continuous Production of Cellulose Microbeads by Rotary Jet Atomization

  Callaghan, C. (Creator), Mattia, D. (Creator), Edler, K. (Creator) & Scott, J. L. (Creator), University of Bath, 22 Jul 2022

  DOI: 10.15125/BATH-01067

  Dataset

• Dataset and figures for "Enhancing the Photo-corrosion Resistance of ZnO Nanowire Photocatalysts"

  Taylor, C. (Creator), Ramirez Canon, A. M. (Creator), Wenk, J. (Creator) & Mattia, D. (Creator), University of Bath, 19 Jun 2019

  DOI: 10.15125/BATH-00675

  Dataset

• Dataset for: N-doped Fe@CNT for combined RWGS/FT CO2 hydrogenation

  Williamson, D. (Creator), Herdes Moreno, C. (Creator), Torrente-Murciano, L. (Creator), Jones, M. (Creator) & Mattia, D. (Creator), University of Bath, 11 Mar 2019

  DOI: 10.15125/BATH-00616

  Dataset

• Aluminium Salalens vs. Salans: “Initiator Design” for the Isoselective Polymerisation of rac-Lactide

  Jones, M. (Creator), Davidson, M. (Creator), McKeown, P. (Creator) & Kociok-Kohn, G. (Creator), University of Bath, 7 Jul 2016

  DOI: 10.15125/BATH-00220

  Dataset

• DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide

  Buchard, A. (Creator), Jones, M. (Project Leader) & McKeown, P. (Project Member), Figshare, 20 May 2015

  DOI: 10.6084/m9.figshare.1420458, http://dx.doi.org/10.6084/m9.figshare.1420458

  Dataset

• Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand

  Buchard, A. (Creator), Jones, M. (Project Leader) & McKeown, P. (Project Member), Figshare, 6 Oct 2014

  DOI: 10.6084/m9.figshare.1189338, http://dx.doi.org/10.6084/m9.figshare.1189338

  Dataset