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Number of items at this level: 80.


Al-Balushi, Rayya A., Skelton, Jonathan (2016) Data for "The Impact of the Alkyne Substitution Pattern and Metallation on the Photo-isomerization of Azobenzene-based Platinum(II) Di-ynes and Poly-ynes". [Data Collection]

Azough, Feridoon, Ekren, Dursun, Srivastava, Deepanshu, Parker, Steve, Freer, Robert (2017) Dataset for "Prospects for engineering thermoelectric properties in La1/3NbO3 ceramics revealed via atomic-level characterization and modelling". [Data Collection]


Buchard, Antoine (2014) Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2. [Data Collection]

Buchard, Antoine (2015) DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide. [Data Collection]

Buchard, Antoine (2015) DFT study of the hydrogen transfer step in the 4-benzoyloxy-TEMPO catalysed oxidation of alcohols. [Data Collection]

Buchard, Antoine (2016) DFT study of the oxidation of primary alcohols by TEMPO+ cation in presence of NaCO3- buffer: concerted hydride transfer pathway. [Data Collection]

Buchard, Antoine (2016) DFT study of the oxidation of primary alcohols by TEMPO+ cation in presence of NaCO3- buffer: deprotonation/cyclic intermediate pathway. [Data Collection]

Buchard, Antoine (2015) DFT study of β-diketiminato iron(II) alkyl and phosphido complexes. [Data Collection]

Buchard, Antoine (2014) Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand. [Data Collection]

Buchard, Antoine (2013) ROP of R-manOCA: DFT study. [Data Collection]

Buchard, Antoine, Gregory, Georgina (2016) DFT Modelling of Ring-opening Thermodynamics of mannose-based cyclic carbonate. [Data Collection]

Buchard, Antoine, Gregory, Georgina (2016) DFT Modelling of the Initiation Step in the ROP of a mannose-based cyclic carbonate. [Data Collection]

Buchard, Antoine, Gregory, Georgina (2016) DFT Modelling of the Propagation Step in the ROP of a mannose-based cyclic carbonate. [Data Collection]

Buchard, Antoine, Gregory, Georgina (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. [Data Collection]

Buchard, Antoine, Gregory, Georgina (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. [Data Collection]

Burbano, Mario, Carlier, Dany, Boucher, Florent, Morgan, Benjamin, Salanne, Mathieu (2017) Supporting data for Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li7La3Zr2O12. [Data Collection]


Cameron, Petra (2015) A Simple Approach for the Fabrication of Perovskite Solar Cells in Air. [Data Collection]

Coombs O'Brien, James (2017) Dataset for - Continuous Production of Cellulose Microbeads via Membrane Emulsification. [Data Collection]


Davey, Chris (2016) Molecular Weight Cut-Off Determination of Organic Solvent Nanofiltration Membranes Using Poly(propylene) Glycols. [Data Collection]

Davey, Chris (2016) Nanofiltration and reverse osmosis membranes for purification and concentration of a 2,3-butanediol producing gas fermentation broth. [Data Collection]


Grant, James, Pesce, Gianluca, Parker, Steve, Molinari, Marco, Ball, Richard (2017) Data set for Carbonation of Hydrous Materials at the Molecular Level: a ToF-SIMS, Raman and DFT Study. [Data Collection]

Grant, James, Pesce, Giovanni, Ball, Richard, Parker, Stephen (2016) An experimental and computational study to resolve the composition of dolomitic lime. [Data Collection]


Hammond, Oliver, Edler, Karen (2017) Research data supporting: 'Effect of Water upon Deep Eutectic Solvent Nanostructure: An Unusual Transition from Ionic Mixture to Aqueous Solution'. [Data Collection]

Hammond, Oliver, Edler, Karen, Eslava Fernandez, Salvador (2017) Data supporting: "Microwave-assisted deep eutectic-solvothermal preparation of iron oxide nanoparticles for photoelectrochemical solar water splitting". [Data Collection]

Hammond, Oliver, Edler, Karen, Sanchez Fernandez, Adrian (2017) Data supporting: Resilience of Malic Acid Natural Deep Eutectic Solvent Nanostructure to Solidification and Hydration. [Data Collection]

Hathaway, Hollie (2017) Study into the Kinetic Properties and Surface Attachment of a Thermostable Adenylate Kinase. [Data Collection]

Hathaway, Hollie (2016) Thermally Triggered Release of the Bacteriophage Endolysin CHAPK and the Bacteriocin Lysostaphin for the Control of Methicillin Resistant Staphylococcus aureus (MRSA). [Data Collection]

Hathaway, Hollie, Jenkins, Toby, Ouadi, Khadija, Pérez Esteban, Patricia, Alves, Diana, Sutton, Mark, Bean, Jessica (2017) Poly(N-isopropylacrylamide-co-allylamine) (PNIPAM-co-ALA) nanospheres for the thermally triggered release of Bacteriophage K. [Data Collection]


Jackson, Adam, Skelton, Jonathan, Hendon, Christopher Holman, Butler, Keith, Walsh, Aron (2015) Supporting data for Rapid Volume Optimisation method. [Data Collection]

Jackson, Adam, Walsh, Aron (2015) Supporting data for "Ab initio thermodynamic model of Cu2ZnSnS4". [Data Collection]

Jackson, Adam J, Tiana, Davide, Walsh, Aron (2015) Supporting data for modelling of sulfur vapours. [Data Collection]

Jackson, Adam J, Walsh, Aron (2015) Dataset for "Oxidation of GaN : An ab initio thermodynamic approach". [Data Collection]

James, Tony (2016) Selective Electrochemiluminescent Sensing of Saccharides using Boronic Acid-Modified Coreactant. [Data Collection]

James, Tony D., Sedgwick, Adam C. (2017) Data from "A bodipy based hydroxylamine sensor". [Data Collection]

Johns, Marcus, Bae, Yong Ho, Guimarães, Francisco, Lanzoni, Evandro M., Costa, Carlos A., Deneke, Christoph, Galembeck, Fernando, Scott, Janet, Sharma, Ram (2018) Dataset for "Predicting Ligand-Free Cell Attachment on Next Generation Cellulose-Chitosan Hydrogels". [Data Collection]

Johns, Marcus, Bernardes, Amanda, Ribeiro De Azevêdo, Eduardo, Guimarães, Francisco, Lowe, John, Gale, Ella, Polikarpov, Igor, Scott, Janet, Sharma, Ram (2017) Regenerated Cellulose Hydrogels as Bioaffinity Attachment Supports for Carbohydrate-Binding Module 1. [Data Collection]

Johnson, Andrew, Hamilton, Jeff, Pugh, Thomas (2016) Dataset for Cobalt(I) olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films. [Data Collection]

Jones, Matthew (2015) Degradation of a β-O-4 model lignin species by vanadium Schiff-base catalysts: influence of catalyst structure and reaction conditions on activity and selectivity. [Data Collection]

Jones, Matthew, Buchard, Antoine, Mckeown, Paul, Brady, Lauren, Lowe, John, Mahon, Mary, Thomas, Lynne, Woodman, Tim (2015) Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived Salan ligands for the polymerisation of rac-lactide. [Data Collection]

Jones, Matthew, Davidson, Matthew, Mckeown, Paul, Kociok-Kohn, Gabriele (2016) Aluminium Salalens vs. Salans: “Initiator Design” for the Isoselective Polymerisation of rac-Lactide. [Data Collection]


Kasprzyk-Hordern, Barbara (2016) WBE - European multi-city study. [Data Collection]

Kim, Chang-Eun, Skelton, Jonathan (2015) Data for "Solid-state chemistry of glassy antimony oxides". [Data Collection]


Markidis, Ioannis (2017) Small scale AD database. [Data Collection]

Milo, Scarlet, Acosta, Florianne Bianca, Hathaway, Hollie, Wallace, Laura, Thet, Naing, Jenkins, Toby (2018) Dataset for 'Development of an Infection-Responsive Fluorescent Sensor for the Early Detection of Urinary Catheter Blockage'. [Data Collection]

Milo, Scarlet, Hathaway, Hollie, Nzakizwanayo, Jonathan, Alves, Diana R, Esteban, Patricia Pérez, Jones, Brian V, Jenkins, Toby (2017) Dataset for 'Prevention of Encrustation and Blockage of Urinary Catheters by Proteus mirabilis via pH-Triggered Release of Bacteriophage'. [Data Collection]

Milo, Scarlet, Thet, Naing Tun, Liu, Dan, Nzakizwanayo, Jonathan, Jones, Brian V, Jenkins, Toby (2017) Dataset for 'An in-situ infection detection sensor coating for urinary catheters'. [Data Collection]

Molinari, Marco, Baran, Jakub, Parker, Stephen (2016) Dataset for Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8+2nTi18O54): an Intrinsic Nanostructured Material and its Defect Distribution. [Data Collection]

Morgan, Benjamin (2018) DFT Data Analysis: Intercalation of X=(Li, Na, Mg, Ca, Al) into (F/OH)-substituted anatase TiO2. [Data Collection]

Morgan, Benjamin (2018) DFT dataset: X=(Li,Na,Ca,Mg,Al) Intercalation into (F/OH)-Substituted Anatase TiO2. [Data Collection]

Morgan, Benjamin (2017) Dataset for "Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study". [Data Collection]

Morgan, Benjamin, Salanne, Mathieu, Dambournet, Damien (2017) Computational Dataset for "Reversible Magnesium and Aluminium-ions Insertion in Cation-Deficient Anatase TiO2". [Data Collection]


Nearchou, Antony (2018) Dataset for "Systematic approaches towards template-free synthesis of EMT-type zeolites". [Data Collection]


O'Rourke, Conn, Morgan, Benjamin (2018) DFT Dataset for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4". [Data Collection]

O'Rourke, Conn, Morgan, Benjamin (2017) Data Analysis for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4". [Data Collection]


Pallipurath, Anuradha, Skelton, Jonathan, Ricciardi, Paola (2016) Data for "Estimation of semiconductor-like pigment concentrations in paint mixtures and their differentiation from paint layers using first-derivative reflectance spectra". [Data Collection]

Parker, Steve, Molinari, Marco, Yeandel, Stephen (2016) Nanostructuring perovskite oxides: The impact of SrTiO3 nanocubes 3D self-assembly on thermal conductivity. [Data Collection]

Perez Esteban, Patricia, Jenkins, Toby, Arnot, Tom (2015) 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. [Data Collection]

Pering, Sam, Kubiak, Peter, Deng, Wentao, Niemann, Ralf, Brivio, Federico, Ghosh, Dibyajyoti, Troughton, Joel R., Jeffrey, Florence, Johnson, Andrew, Lewis, Simon, Walker, Alison, Watson, Trystan M., Islam, Sailful, Raithby, Paul, Cameron, Petra (2018) Raw Data for Azetidinium Lead Iodide for Perovskite Solar Cells. [Data Collection]

Poli, Isabella (2017) Dataset for ''Tetrabutyl ammonium cation for moisture-resistant and semitransparent perovskite solar cells''. [Data Collection]

Poli, Isabella, Cameron, Petra (2018) Dataset for Enhancing the hydrophobicity of perovskite solar cells using C18 capped CH3NH3PbI3 nanocrystals. [Data Collection]


Sanchez Fernandez, Adrian, Edler, Karen, Hammond, Oliver (2017) Data Supporting: Surfactant-solvent interaction effects on the micellization of cationic surfactants in a carboxylic acid-based deep eutectic solvent. [Data Collection]

Sanchez Fernandez, Adrian, Hammond, Oliver, Edler, Karen (2018) Data supporting: Counterion binding alters surfactant self-assembly in deep eutectic solvents. [Data Collection]

Sartbaeva, Asel, Wells, Stephen (2017) Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites". [Data Collection]

Schmitt, Julien (2018) Dataset for "TEMPO-oxidized cellulose nanofibrils; probing the mechanisms of gelation via Small Angle X-Ray Scattering". [Data Collection]

Sedgwick, Adam C., Sun, Xiaolong, Kim, Gyoungmi, Yoon, Juyoung, Bull, Steven D., James, Tony D. (2016) Boronate based fluorescence (ESIPT) probe for peroxynitrite. [Data Collection]

Shibuya, Taizo, Skelton, Jonathan, Jackson, Adam (2016) Data for "Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors". [Data Collection]

Skelton, Jonathan (2017) Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor". [Data Collection]

Skelton, Jonathan (2016) Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions". [Data Collection]

Skelton, Jonathan (2017) Data for "Chemical and Lattice Stability of the Tin Sulfides". [Data Collection]

Skelton, Jonathan (2015) Data for "Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling". [Data Collection]

Skelton, Jonathan (2017) Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor". [Data Collection]

Skelton, Jonathan (2016) Data for "Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory". [Data Collection]

Skelton, Jonathan (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". [Data Collection]

Skelton, Jonathan (2017) Data to accompany the article "Anion···π interactions and metastability: structural transformations in a silver-pyrazine network". [Data Collection]

Skelton, Jonathan, Jackson, Adam (2017) Data to accompany the article "Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport". [Data Collection]

Skelton, Jonathan, Loke, Desmond, Lee, Taehoon, Elliott, Stephen (2015) Data for Ab Initio Molecular-Dynamics Simulation of Neuromorphic Computing in Phase-Change Memory Materials. [Data Collection]

Skelton, Jonathan, Pallipurath, Anuradha, Bucklow, Spike, Elliott, Stephen (2015) Data for "A chemometric study of ageing in lead-based paints". [Data Collection]


Teobaldi, Gilberto (2016) Variation in Surface Energy and Reduction Drive of a Metal Oxide Lithium-Ion Anode with Stoichiometry: A DFT Study of Lithium Titanate Spinel Surfaces. [Data Collection]

Tickell, David, Lampard, Emma, Lowe, John, James, Tony, Bull, Steven (2016) A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template. [Data Collection]


Walsh, Dominic (2018) Dataset for 'Exploring effects of intermittent light upon visible light promoted water oxidations'. [Data Collection]

This list was generated on Thu Jul 19 18:33:27 2018 BST.