Department of Chemistry

Search results

• Dataset for "Service users' experiences of NHS patient medicines helpline services: A qualitative study"

  Williams, M. (Creator), Jordan, A. (Creator), Scott, J. (Creator) & Jones, M. (Creator), University of Bath, 28 Jun 2020

  DOI: 10.15125/BATH-00745

  Dataset

• Numerical data and higher resolution images for Abdulkareem et al (2024), "Thermal stabilisation of lysozyme through ensilication", Molecules

  Abdulkareem, R. (Creator), Fotaki, N. (Creator), Koumanov, F. (Creator), Dodson, C. (Creator) & Sartbaeva, A. (Creator), Zenodo, 2 Sept 2024

  DOI: 10.5281/zenodo.13629113

  Dataset

• Regenerated Cellulose Hydrogels as Bioaffinity Attachment Supports for Carbohydrate-Binding Module 1

  Johns, M. (Creator), Bernardes, A. (Creator), Ribeiro De Azevêdo, E. (Creator), Guimarães, F. (Creator), Lowe, J. (Creator), Gale, E. (Creator), Polikarpov, I. (Creator), Scott, J. L. (Creator) & Sharma, R. (Creator), University of Bath, 2017

  DOI: 10.15125/BATH-00316

  Dataset

• Data for "Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors"

  Shibuya, T. (Creator), Skelton, J. (Creator), Jackson, A. (Creator), Yasuoka, K. (Supervisor), Togo, A. (Researcher), Tanaka, I. (Supervisor) & Walsh, A. (Project Leader), University of Bath, 20 Jul 2016

  DOI: 10.15125/BATH-00219

  Dataset

• Dataset for Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8+2nTi18O54): an Intrinsic Nanostructured Material and its Defect Distribution

  Molinari, M. (Creator), Baran, J. (Creator) & Parker, S. (Creator), University of Bath, 2016

  DOI: 10.15125/BATH-00174

  Dataset

• Data for "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures. A Computational Study"

  Parker, S. (Creator), Molinari, M. (Creator) & Yeandel, S. (Creator), University of Bath, 19 Jul 2018

  DOI: 10.15125/BATH-00536

  Dataset

• Dataset for "Surfactant controlled zwitterionic cellulose nanofibril dispersions"

  Calabrese, V. (Creator), da Silva, M. (Creator), Schmitt, J. (Creator), Muñoz-García, J. C. (Creator), Gabrielli, V. (Creator), Scott, J. L. (Creator), Angulo, J. (Creator), Khimyak, Y. Z. (Creator) & Edler, K. (Creator), University of Bath, 1 Aug 2018

  DOI: 10.15125/BATH-00538

  Dataset

• Dataset for "Bottom-Up Cubosome Synthesis Without Organic Solvents"

  Bryant, S. (Creator), Bathke, E. (Creator) & Edler, K. (Creator), University of Bath, 17 May 2021

  DOI: 10.15125/BATH-01017

  Dataset

• Dataset for "Costs and cost-effectiveness of user-testing of health professionals’ guidelines to reduce the frequency of intravenous medicines administration errors by nurses in the United Kingdom: a probabilistic model based on voriconazole administration"

  Jones, M. (Creator), Franklin, B. D. (Creator), Raynor, D. K. (Creator), Thom, H. (Creator), Watson, M. (Creator) & Kandiyali, R. (Creator), University of Bath, 3 Aug 2021

  DOI: 10.15125/BATH-00960

  Dataset

• FLEXOME software suite

  Wells, S. (Creator), University of Bath, 26 Sept 2023

  DOI: 10.15125/BATH-00995

  Dataset

• Dataset for "Machine learning and semi-empirical calculations: A synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction"

  Farrar, E. H. E. (Creator) & Grayson, M. N. (Creator), University of Bath, 14 Jun 2022

  DOI: 10.15125/BATH-01092

  Dataset

• Dataset for "Salt bridge impact on global rigidity and thermostability in thermophilic citrate synthase"

  Mcmanus, T. (Creator) & Wells, S. (Creator), University of Bath, 20 Jun 2019

  DOI: 10.15125/BATH-00566

  Dataset

• DFT study of the oxidation of primary alcohols by TEMPO+ cation in presence of NaCO3- buffer: concerted hydride transfer pathway

  Buchard, A. (Creator), Figshare, 23 Apr 2016

  DOI: 10.6084/m9.figshare.3079963, https://figshare.com/articles/DFT_study_of_the_oxidation_of_primary_alcohols_by_TEMPO_cation_in_presence_of_NaCO3_buffer_concerted_hydride_transfer_pathway/3079963 and one more link, http://onlinelibrary.wiley.com/doi/10.1002/elan.201600141/abstract (show fewer)

  Dataset

• Dataset for "Composite hydrogel spheroids based on cellulose nanofibrils and nanofibrous chiral coordination polymer by green synthesis"

  Engel, E. (Creator), Calabrese, V. (Creator), Hossain, K. M. Z. (Creator), Edler, K. (Creator) & Scott, J. L. (Creator), University of Bath, 30 Sept 2020

  DOI: 10.15125/BATH-00905

  Dataset

• Dataset for "Development of Methodology to Investigate the Surface SMALPome of Mammalian Cells"

  Morrison, K. (Creator), Whitley, P. (Creator), Koumanov, F. (Creator) & Edler, K. (Supervisor), University of Bath, 18 Nov 2021

  DOI: 10.15125/BATH-01051

  Dataset

• Data supporting "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics"

  Hammond, O. (Creator), Sanchez Fernandez, A. (Creator), Dalgliesh, R. M. (Creator), Smith, A. J. (Creator) & Edler, K. (Creator), University of Bath, 10 Nov 2022

  DOI: 10.15125/BATH-01222, https://data.isis.stfc.ac.uk/doi/INVESTIGATION/85253401/

  Dataset

• Dataset for "Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes"

  McColl, K. (Creator), Squires, A. (Project Member), Coles, S. (Project Member), Morgan, B. (Supervisor) & Islam, S. (Supervisor), University of Bath, 7 Sept 2022

  DOI: 10.15125/BATH-01189

  Dataset

• Data supporting: Counterion binding alters surfactant self-assembly in deep eutectic solvents

  Sanchez Fernandez, A. (Creator), Hammond, O. (Creator) & Edler, K. (Creator), University of Bath, 1 May 2018

  DOI: 10.15125/BATH-00500

  Dataset

• Computational Supporting Dataset for "Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries"

  Morgan, B. (Creator), University of Bath, 24 Oct 2019

  DOI: 10.15125/BATH-00689

  Dataset

• Dataset for "Non-Volatile Conductive Gels Made From Deep Eutectic Solvents and Oxidised Cellulose Nanofibrils"

  Bryant, S. (Creator), Alves Da Silva, M. (Creator), Hossain, K. M. Z. (Creator), Calabrese, V. (Creator), Scott, J. L. (Creator) & Edler, K. (Creator), University of Bath, 5 Mar 2021

  DOI: 10.15125/BATH-00978

  Dataset

• 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

  Buchard, A. (Creator) & Gregory, G. (Creator), Figshare, 12 Mar 2015

  DOI: 10.6084/m9.figshare.1333535, http://dx.doi.org/10.6084/m9.figshare.1333535

  Dataset

• Dataset for "Comparing the Performances of Force Fields in Conformational Searching of Hydrogen Bond-Donating Catalysts"

  Lewis-Atwell, T. (Creator), Townsend, P. (Creator) & Grayson, M. (Creator), University of Bath, 27 Apr 2022

  DOI: 10.15125/BATH-01065

  Dataset

• Dataset for "Core-shell spheroidal hydrogels produced via charge-driven interfacial complexation"

  Calabrese, V. (Creator), Califano, D. (Creator), Alves Da Silva, M. (Creator), Schmitt, J. (Creator), Bryant, S. (Creator), Hossain, K. M. Z. (Creator), Percebom, A. M. (Creator), Gramatges, A. P. (Creator), Scott, J. L. (Creator) & Edler, K. (Creator), University of Bath, 6 Mar 2020

  DOI: 10.15125/BATH-00760

  Dataset

• Dataset for "Continuous flow for materials synthesis, assembly and crystallisation at Diamond: discovery and delivery of high value materials"

  Wayment, L. (Creator), Wilson, C. (Supervisor), Robertson, K. (Supervisor), Warren, M. R. (Supervisor), Allan, D. R. (Supervisor), Tang, C. (Supervisor), Scott, D. (Contributor), Levenstein, M. (Contributor), Payne, P. (Contributor), Lunt, R. (Contributor) & Flandrin, P.-B. (Contributor), University of Bath, 1 Jun 2020

  DOI: 10.15125/BATH-00779

  Dataset

• Supplementary Dataset for Thesis: Bridging the Gap in Sustainable Continuous Chemicals Manufacture: Integrating Upstream Synthesis and Downstream Crystallisation - Chapter "Thermochromics"

  Scott, D. (Creator), Wilson, C. (Creator) & Davidson, M. (Creator), University of Bath, 4 Nov 2020

  DOI: 10.15125/BATH-00731

  Dataset

• CCDC 2034334: 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.cc268wp2

  Dataset

• DFT Dataset for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4"

  O'Rourke, C. (Creator) & Morgan, B. (Creator), University of Bath, 8 Mar 2018

  DOI: 10.15125/BATH-00438, https://doi.org/10.5281/zenodo.1170749

  Dataset

• Dataset supporting "In situ X-ray reflectivity and GISAXS study of mesoporous silica films grown from sodium silicate solution precursors"

  Di, A. (Creator), Schmitt, J. (Creator), Elstone, N. (Creator), Arnold, T. (Creator) & Edler, K. (Creator), University of Bath, 25 May 2022

  DOI: 10.15125/BATH-01151

  Dataset

• Dataset for "Comparison of Cyclic and Linear Poly(lactide)s Using Small Angle Neutron Scattering"

  Yang, P. (Creator), Edler, K. (Creator), Davidson, M. (Creator), Brown, S. (Creator), McCormick, S. (Creator), Bathke, E. (Creator), Leaman, N. (Creator) & Matsarskaia, O. (Creator), University of Bath, 13 Dec 2022

  DOI: 10.15125/BATH-01203

  Dataset

• Dataset for 'Simultaneous Formation of FeOx Electrocatalyst Coating within Hematite Photoanodes for Solar Water Splitting'

  Walsh, D. (Creator), Eslava, S. (Creator), Zhang, J. (Creator), Regue Grino, M. (Creator) & Dassanayake, R. (Creator), University of Bath, 26 Feb 2019

  DOI: 10.15125/BATH-00599

  Dataset

• ESI 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. J. (Creator), Campbell, R. A. (Creator) & Arnold, T. (Creator), Zenodo, 26 Feb 2019

  DOI: 10.5281/zenodo.2577796

  Dataset

• Dataset for "Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4"

  Mercadier, B. (Creator), Coles, S. (Creator), Duttine, M. (Creator), Legein, C. (Creator), Body, M. (Creator), Borkiewicz, O. (Creator), Lebedev, O. (Creator), Morgan, B. (Creator), Masquelier, C. (Creator) & Dambournet, D. (Creator), University of Bath, 16 Oct 2023

  DOI: 10.15125/BATH-01309

  Dataset

• Dataset for "Adjusting organic load as a strategy to direct single-stage food waste fermentation from anaerobic digestion to chain elongation"

  De Groof, V. (Creator), Coma Bech, M. (Creator), Leak, D. (Creator), Arnot, T. (Creator) & Lanham, A. (Creator), University of Bath, 27 Nov 2020

  DOI: 10.15125/BATH-00941, https://www.ebi.ac.uk/ena/browser/view/PRJEB39281

  Dataset

• Dataset for "Ab initio reconstruction of small angle scattering data for membrane proteins in copolymer nanodiscs"

  Morrison, K. (Creator), Whitley, P. (Creator), Price, G. (Creator), Edler, K. (Creator) & Doutch, J. (Data Collector), University of Bath, 16 Dec 2021

  DOI: 10.15125/BATH-01066

  Dataset

• Selective Electrochemiluminescent Sensing of Saccharides using Boronic Acid-Modified Coreactant

  James, T. (Creator), Li, H. (Data Collector), Sedgwick, A. (Data Collector), Li, M. (Data Collector), Blackburn, R. (Data Collector), Bull, S. (Project Member), Arbault, S. (Project Member) & Sojic, N. (Project Leader), University of Bath, 2016

  DOI: 10.15125/BATH-00254

  Dataset

• Poly(N-isopropylacrylamide-co-allylamine) (PNIPAM-co-ALA) nanospheres for the thermally triggered release of Bacteriophage K

  Hathaway, H. (Creator), Jenkins, T. (Creator), Ouadi, K. (Creator), Pérez Esteban, P. (Creator), Alves, D. (Creator), Sutton, M. (Creator) & Bean, J. (Creator), University of Bath, 2017

  DOI: 10.15125/BATH-00335

  Dataset

• Dataset for "Prospects for engineering thermoelectric properties in La1/3NbO3 ceramics revealed via atomic-level characterization and modelling"

  Azough, F. (Creator), Ekren, D. (Creator), Srivastava, D. (Creator), Parker, S. (Creator), Freer, R. (Creator), Kepaptsoglou, D. (Project Member), Baran, J. (Project Member), Molinari, M. (Researcher) & Ramasse, Q. M. (Project Member), University of Bath, 19 Dec 2017

  DOI: 10.15125/BATH-00463

  Dataset

• Dataset for 'Zn doped Fe2TiO5 photoanodes grown by aerosol-assited chemical vapor deposition'

  Regue Grino, M. (Creator), Ahmet, I. (Creator), Saurabh Bassi, P. (Creator), Johnson, A. (Creator), Eslava, S. (Creator) & Abdi, F. (Creator), University of Bath, 20 Nov 2020

  DOI: 10.15125/BATH-00704

  Dataset

• Boronate based fluorescence (ESIPT) probe for peroxynitrite

  Sedgwick, A. (Creator), Sun, X. (Creator), Kim, G. (Creator), Yoon, J. (Creator), Bull, S. (Creator) & James, T. (Creator), University of Bath, 2016

  DOI: 10.15125/BATH-00252

  Dataset

• Dataset for "Reflected Impedanceometry: A Contact-Free Technique for Measuring Induced Magnetic Hysteresis and Eddy Current Heating"

  Noble, J. (Creator) & Hill, A. (Creator), University of Bath, 2 Sept 2022

  DOI: 10.15125/BATH-01186

  Dataset

• Wastewater monitoring data 2011-2016

  Kasprzyk-Hordern, B. (Creator), European Monitoring Centre for Drugs and Drug Addiction, 6 Jun 2017

  https://www.emcdda.europa.eu/publications/html/pods/waste-water-analysis_en

  Dataset

• Dataset for "Interactions of Choline and Geranate (CAGE) and Choline Octanoate (CAOT) Deep Eutectic Solvents with Lipid Bilayers"

  Neville, G. (Creator), Dobre, A.-M. (Creator), Smith, G. (Creator), Micciulla, S. (Creator), Brooks, N. (Creator), Arnold, T. (Creator), Welton, T. (Creator) & Edler, K. (Creator), University of Bath, 2 Oct 2023

  DOI: 10.15125/BATH-01289

  Dataset

• Dataset for "The effect of polymer end-group on the formation of Styrene – Maleic Acid Lipid Particles (SMALPs)"

  Neville, G. (Creator), Morrison, K. (Creator), Shilliday, E. (Creator), Doutch, J. (Creator), Dalgliesh, R. (Creator), Price, G. (Creator) & Edler, K. (Creator), University of Bath, 23 Oct 2023

  DOI: 10.15125/BATH-01291

  Dataset

• Raw Data for Azetidinium Lead Iodide for Perovskite Solar Cells

  Pering, S. (Creator), Kubiak, P. (Creator), Deng, W. (Creator), Niemann, R. (Creator), Brivio, F. (Creator), Ghosh, D. (Creator), Troughton, J. R. (Creator), Jeffrey, F. (Creator), Johnson, A. (Creator), Lewis, S. (Creator), Walker, A. (Creator), Watson, T. M. (Creator), Islam, S. (Creator), Raithby, P. (Creator) & Cameron, P. (Creator), University of Bath, 23 Jan 2018

  DOI: 10.15125/BATH-00432

  Dataset

• Data supporting "Self-assembly and surface behaviour of pure and mixed zwitterionic amphiphiles in a deep eutectic solvent"

  Sanchez Fernandez, A. (Creator), Murfin, L. (Creator), Edler, K. (Creator) & Lewis, S. (Creator), University of Bath, 8 Jun 2018

  DOI: 10.15125/BATH-00523

  Dataset

• Data sets for "Structural Investigation of Sulfobetaines and Phospholipid Monolayers at the air-water interface"

  Elstone, N. (Creator), Edler, K. (Creator), Arnold, T. (Creator), Lewis, S. (Creator), Skoda, M. W. A. (Creator), Hazell, G. (Creator) & Li, P. (Creator), University of Bath, 6 Sept 2022

  DOI: 10.15125/BATH-00917

  Dataset

• Supporting data for Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li7La3Zr2O12

  Burbano, M. (Creator), Carlier, D. (Creator), Boucher, F. (Creator), Morgan, B. (Creator) & Salanne, M. (Creator), University of Bath, 2017

  DOI: 10.15125/BATH-00366

  Dataset

• Dataset for "Single nanoparticle chiroptics in a liquid: optical activity in hyper-Rayleigh scattering from Au helicoids"

  Ohnoutek, L. (Creator), Murphy, A. (Creator), Rasadean, D.-M. (Creator), Pantos, D. (Creator) & Valev, V. (Creator), University of Bath, 26 Jun 2020

  DOI: 10.15125/BATH-00862

  Dataset

• Dataset for "Third-harmonic Mie scattering from semiconductor nanohelices"

  Ohnoutek, L. (Creator), Kim, J.-Y. (Creator), Lu, J. (Creator), Olohan, B. (Creator), Rasadean, D.-M. (Creator), Pantos, D. (Creator), Kotov, N. (Creator) & Valev, V. (Creator), University of Bath, 13 Jan 2022

  DOI: 10.15125/BATH-01005

  Dataset

• Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2

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

  DOI: 10.6084/m9.figshare.1190538, http://dx.doi.org/10.6084/m9.figshare.1190538

  Dataset