Research Datasets (401)

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Data pertaining to selective synthesis of high purity, crystalline D-glucaric acid - Armstrong RD, Kariuki BM, Knight DW, Hutchings GJ (2017). Cardiff University. 10.17035/d.2017.0044004605.
Exploring tandem ruthenium-catalyzed hydrogen transfer and SNAr chemistry - Polidano K, Reed-Berendt BG, Basset A, Watson A, Williams JMJ, Morrill LC (2017). Cardiff University. 10.17035/d.2017.0044059416.
Development and evaluation of tissue model infection - Morse DJ, Williams DW, Wei X, Wilson MJ, Lewis MAO, Murdoch C, Bradshaw D (2018). Cardiff University. 10.17035/d.2017.0044151363.
Laser nearfield measurements - Elliott S (2018). Cardiff University. 10.17035/d.2018.0044311604.
Defined covalent assembly of protein molecules on graphene using a genetically encoded photochemical reaction handle - Zaki AJ, Thomas SK, Watson P, Hayes AJ, Craciun MF, Elliott M (2018). Cardiff University. 10.17035/d.2018.0045008721.
Building community-driven vertical greening systems for people living on less than £1 a day: a case study in Nigeria - DATASET - Akinwolemiwa OH, Gwilliam JA, Bleil De Souza C, De Luca L (2018). Cardiff University. 10.17035/d.2018.0045008945.
The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups - Bowden B, Davies M, Davies PR, Guan S, Morgan DJ, Roberts V, Wotton D (2018). Cardiff University. 10.17035/d.2018.0045183226.
Pioneering simulations in electrochemistry: the frontiers in first principles modelling - Roldan A (2018). Cardiff University. 10.17035/d.2018.0045298414.
Water utility decision support ontology, rules and validation data - Howell SK, Rezgui Y (2019). Cardiff University. 10.17035/d.2018.0045386608.
Raw data for "DFT-Computed Trends in the Properties of Bimetallic Precious-Metal Nanoparticles With Core@shell Segregation" - Logsdail AJ, Paz-Bórbon LO, Downing CA (2018). Cardiff University. 10.17035/d.2018.0045513133.
Data to support "A survey on problems encountered in current concrete construction and the potential benefits of self-healing cementitious materials" - Gardner DR, Lark RJ, Jefferson AD, Davies RE, O'Sullivan W, Porter J, Coleman P (2018). Cardiff University. 10.17035/d.2018.0045754162.
Ligand Field Molecular Dynamics Simulation of Pt(II)-Phenanthroline Binding to N-Terminal Fragment of Amyloid-beta Peptide [Data set] - Platts J, Turner M, Mutter ST, Deeth R (2017). Cardiff University. 10.5281/zenodo.1050388.
CO₂ interaction with the violarite FeNi₂S₄{001} and {111} surfaces - Posada-Pérez S, Santos-Carballal D, Terranova U, Roldan A, Illas F, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0046360243.
Simultaneous neutron powder diffraction and microwave dielectric studies of ammonia absorption in metal–organic framework systems - Barter M, Porch A, Forgan RS, Jones MO (2018). Cardiff University. 10.17035/d.2018.0046822874.
Raw data for "Comparison between Modelled and Measured Magnetic Field Scans of Different Planar Coil Topologies for Stress Sensor Applications" - Gibbs RM, Moreton G, Meydan T, Williams PI (2018). Cardiff University. 10.17035/d.2018.0046955726.
Simulating Peer-to-Peer Energy Trading in a Microgrid - Zhang C, Wu J, Zhou Y, Cheng M, Long C (2018). Cardiff University. 10.17035/d.2018.0046980048.
Resonant-state expansion of three-dimensional open optical systems: Light scattering - Lobanov SV, Langbein WW, Muljarov EA (2018). Cardiff University. 10.17035/d.2018.0046980331.
Hydrogen production from formic acid decomposition in liquid phase using functionalised Pd/CNFs - Sanchez Trujillo FJ, Motta D, Roldan A, Hammond C, He Q, Davies TS, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0048663064.
QENS analysis of industrially relevant small pore zeolites - Silverwood I, Catlow CR, Collier P, Sarwar M, Parker S, O'Malley A, York A, Mantarosie L, Hitchcock I, Hindocha S (2018). Cardiff University. 10.5286/ISIS.E.63530347.
Supported Metal Nanoparticles with Tailored Catalytic Properties through Sol immobilisation: Applications for the Hydrogenation of Nitrophenols - Rogers SM, Catlow CRA, Gianolio D, Wells PP, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0049146792.
New insights for the valorisation of glycerol over MgO catalysts in the gas-phase - dataset - Smith LR, Smith PJ, Mugford KS, Douthwaite JM, Dummer NF, Willock DJ, Howard M, Knight DW, Taylor SH, Hutchings GJ (2018). Cardiff University. 10.17035/d.2018.0049493818.
Ultrafast Magnetization Dynamics in a Nanoscale Three-Dimensional Cobalt Tetrapod Structure - Sahoo S, Mondal S, Williams GI, May A, Ladak S, Barman A (2018). Cardiff University. 10.17035/d.2018.0049660686.
Surface Oxidation of Troilite FeS - Terranova U, Mitchell C, Meenakshisundaram S, Morgan DJ, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0049771917.
Influence of steam addition and elevated ambient conditions on NOx reduction in a staged premixed swirling NH3 /H2 flame - Pugh DG, Bowen PJ, Valera Medina A, Giles AP, Runyon JP, Marsh R (2018). Cardiff University. 10.17035/d.2018.0049851796.
Anglesey network data for Ofgem Electricity Network Innovation Competition ANGLE-DC project - Long C, Qi Q, Wu J (2018). Cardiff University. 10.17035/d.2018.0050208156.
Behavioural machine activity for benign and malicious Win7 64-bit executables - Burnap P, Rhode M (2018). Cardiff University. 10.17035/d.2018.0050524986.
Stability and Mobility of Supported Nin (n = 1-10) Clusters on ZrO2(111) and YSZ(111) Surfaces: a Density Functional Theory Study - Cadi-Essadek A, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0050609499.
Codes for "Computing diffusivities from particle models out of equilibrium" - Zimmer J, Embacher PA, Dirr M, Reina C (2018). Cardiff University. 10.15125/BATH-00488.
Peer-to-peer energy sharing through a two-stage aggregated battery control in a community microgrid - Long C, Wu J, Zhou Y, Jenkins N (2018). Cardiff University. 10.17035/d.2018.0050698286.
Realisation of a frustrated 3D magnetic nanowire lattice - May A, Van Den Berg A, Hunt MO, Hejazi A, Ladak S (2019). Cardiff University. 10.17035/d.2018.0050718074.
Temperature Correction Using Degenerate Modes for Cylindrical Cavity Perturbation Measurements - dataset - Barter M, Partridge SL, Slocombe DR, Porch A (2018). Cardiff University. 10.17035/d.2018.0050743125.
Metal Binding to Amyloid Beta 1-42: A Ligand Field Molecular Dynamics Study - Platts J (2018). Cardiff University. 10.5281/zenodo.1289167.
Next-generation sequencing read data for bacterial microbiome profiling - Morse DJ, Smith A, Williams DD, Lewis MAO, Marsh LL, Wilson MJ, Wei X (2018). Cardiff University. 10.17035/d.2018.0051571814.
Data for publication "Hybrid-DFT Modelling of Lattice and Surface Vacancies in MnO" - Logsdail AJ, Downing CA, Keal TW, Sherwood P, Sokol AA, Catlow CRA (2018). Cardiff University. 10.17035/d.2018.0052063074.
Non-specific chronic low back pain: differences in peak flexion spinal angles in subgroups during functional tasks - Hemming R, Sheeran L, van Deursen R, Sparkes V (2018). Cardiff University. 10.17035/d.2018.0052094453.
Adsorption of Oxygen on Low Miller index Surfaces of hcp Cobalt - Farkas B, Cadi-Essadek A, Santos Carballal D, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0052762507.
Public Perceptions of Energy Storage - Thomas G, Demski CC, Pidgeon N (2019). Cardiff University. 10.17035/d.2018.0052852533.
Mechanochemical Activation of Zinc and Application to Negishi Cross-Coupling - Browne DL, Cao Q, Howard JL (2018). Cardiff University. 10.17035/d.2018.0052918729.
Matching diagnostics development to clinical need: target product profile development for a point of care test for community-acquired lower respiratory tract infection - survey data - Gal M, Francis NA, Hood K, Villacian J, Goossens H, Watkins A, Butler CC (2018). Cardiff University. 10.17035/d.2018.0052917920.
Investigating char agglomeration in blast furnace coal injection: dataset - Sexton DC, Steer JM, Marsh R, Greenslade M (2018). Cardiff University. 10.17035/d.2018.0053234243.
Test DSET for Outlook junking 13/07/2018 - Bartlett LM (2018). Cardiff University. 10.17035/d.2018.0053450388.
Indirect Reciprocity and the Evolution of Prejudicial Groups - Colombo G, Whitaker RM (2018). Cardiff University. 10.17035/d.2018.0054105515.
Directed Aqueous-Phase Reforming of Glycerol Through Tailored Platinum Nanoparticles - Catlow CRA, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0054109030.
Computational insights into the photovoltaic potential of zinc diphosphides - dataset - Živković A, Farkaš B, Dzade NY, Uahengo V, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054381131.
Substitutional doping with Fe of the zinc oxide ZnO(10-10) surfaces - Santos-Carballal D, Cadi-Essadek A-A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054411689.
Simultaneous Removal of NOx and Soot Particulate from Diesel Exhaust by In-situ Catalytic Generation and Utilisation of N2O - Davies C, Thompson K, Cooper A, Bogarra Macias M, Doustdar O (2018). Cardiff University. 10.17035/d.2018.0054956978.
Deactivation of a single-site gold-on-carbon acetylene hydrochlorination catalyst: An X-ray absorption and inelastic neutron scattering study - data - Grazia Malta, Simon J Freakley, Simon A Kondrat, Emma K Gibson and Peter P Wells. (2020). Cardiff University. 10.17035/d.2018.0054961412.
CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: a Density Functional Theory Study - Cadi-Essadek A, Roldan A, Aparicio-Anglès X, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0055070812.
Superconducting diamond on silicon nitride for device applications - Bland HA, Thomas ELH, Klemencic GM, Mandal S, Williams OA, Papageorgiou A (2018). Cardiff University. 10.17035/d.2018.0055370965.
Synthesis and Reactivity of N-Allenyl Cyanamides - Ayres JN, Williams MTJ, Tizzard GJ, Coles SJ, Ling KB, Morrill LC (2018). Cardiff University. 10.17035/d.2018.0055747356.
Data to support "Large Scale Application of Self-Healing Concrete: Design, Construction and Testing" - Davies RE, Teall O, Pilegis M, Kanellopoulos A, Sharma T, Jefferson AD, Gardner DR, Al-Tabbaa A, Paine K, Lark R (2018). Cardiff University. 10.17035/d.2018.0055749445.
The specification of and testing of a Horizontal Axis Tidal Turbine Rotor Monitoring approach - Matthew Allmark, Roger Grosvenor, Paul Prickett (2018). Cardiff University. 10.17035/d.2018.0055962840.
FLP-Catalyzed Transfer Hydrogenation of Silyl Enol Ethers - Khan I, Reed-Berendt BG, Melen RL, Morrill LC (2018). Cardiff University. 10.17035/d.2018.0055962956.
Mixing thermodynamics and electronic structure of the Pt₁₋ₓNiₓ (0 ≤ x ≤ 1) bimetallic alloy - Botha LM, Santos-Carballal D, Terranova U, Quesne MG, Ungerer MJ, van Sittert CGCE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2018.0056690949.
Ajoene Synthesis - spectral and experimental data - Silva F, Wirth T (2019). Cardiff University. 10.17035/d.2018.0056888714.
Hydrogen production from formic acid decomposition in the liquid phase using Pd nanoparticles supported on CNFs with different surface properties - Sanchez F, Alotaibi MH, Motta D, Chan-Thaw CE, Rakotomahevitra A, Tabanelli T, Roldan A, Hammond C, He Q, Davies T, Villa A, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0057542883.
Droplet Dynamics on Chemically Heterogeneous Substrates - Savva N, Groves D (2019). Cardiff University. 10.17035/d.2018.0059776685.
Study of NaVOPO4 Polymorphs as Cathode Materials for Na-ion Batteries - Aparicio P A, Dawson J A, Islam M S, de Leeuw N H (2018). Cardiff University. 10.17035/d.2018.0060727953.
Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space - Kalash L, Cresser-Brown J, Habchi J, Morgan C, Miller DJ, Glen RC, Allemann RK, Bender A (2018). Cardiff University. 10.17035/d.2018.0061359778.
DFT+U Study of the electronic, magnetic and mechanical properties of Co, CoO, and Co3O4 - Cadi-Essadek A, Roldan A, Santos-Carballal A, Ngoepe PE, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0061874165.
Switching Chemoselectivity: Using Mechanochemistry to Alter Reaction Kinetics - Browne DL, Howard JL, Brand MC (2018). Cardiff University. 10.17035/d.2018.0062874363.
Catalysts for production of high value chemicals from bio-derived sustainable waste streams - Smith PJ (2018). Cardiff University. 10.17035/d.2018.0063863548.
Electronic and surface energies supporting the article "Hydrogen adsorption for Transition Metal Carbides: A DFT Study" by Silveri et al. - Silveri F, Quesne M, Roldan A, Catlow CRA, de Leeuw NH (2019). Cardiff University. 10.17035/d.2018.0064126200.
Different cell-penetrating peptides (CPPs) for delivery of green fluorescent protein (GFP) into mammalian cells - Patel SG, Sayers EJ, He L, Narayan R, Williams T, Allemann RK, Luk LYP, Jones AT, Tsai Y-H (2018). Cardiff University. 10.17035/d.2018.0064167981.
Molecular Dynamics Simulation on the Effect of Transition Metal Binding to the N-Terminal Fragment of Amyloid-β - Turner M, Mutter ST, Platts JA, (2018). Cardiff University. 10.5281/zenodo.1540579.
Data pertaining to quantitative determination of Pt- catalysed D-glucose oxidation products using 2D NMR - Armstrong RD, Hirayama J, Knight DW, Hutchings GJ (2018). Cardiff University. 10.17035/d.2018.0065256615.
Twisting the arm: Structural Constraints in Bicyclic Expanded-Ring N-Heterocyclic Carbenes - data - Sampford KR, Carden JL, Kidner EB, Berry A, Cavell KJ, Kariuki BM, Newman PD (2018). Cardiff University. 10.17035/d.2018.0065259122.
Data for "Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5" - Nastase SAF, O'Malley A, Catlow CRA, Logsdail AJ (2019). Cardiff University. 10.17035/d.2018.0065325466.
Comparison between torsional spring constants of rectangular and V-shaped AFM cantilevers - dataset - Borodich FM, Al-Musawi RS, Brousseau E, Evans SL (2019). Cardiff University. 10.17035/d.2018.0065547679.
Expert perceptions of public engagement with Carbon Capture and Storage - Xenias D, Whitmarsh LE (2019). Cardiff University. 10.17035/d.2019.0065584732.
Microwave cavity perturbation of nitrogen doped nano-crystalline diamond films - data - Cuenca J, Williams O, Porch A (2019). Cardiff University. 10.17035/d.2018.0065733586.
Label-free volumetric quantitative imaging of the human somatic cell division by hyperspectral coherent anti-Stokes Raman scattering - Karuna A, Masia F, Wiltshire M, Errington RJ, Borri P, Langbein WW (2019). Cardiff University. 10.17035/d.2019.0066725262.
Public perceptions of Carbon Capture and Storage - Xenias D, Whitmarsh LE (2019). Cardiff University. 10.17035/d.2019.0067057923.
Lipid bilayer thickness measured by quantitative DIC reveals phase transitions and effects of substrate hydrophilicity - data - Regan DC, Williams JM, Borri P, Langbein WW (2019). Cardiff University. 10.17035/d.2019.0067230219.
Measuring sub-nanometre thickness changes during phase transitions of supported lipid bilayers with quantitative differential interference contrast microscopy - Regan DC, Williams JM, Masia F, Borri P, Langbein WW (2019). Cardiff University. 10.17035/d.2019.0067230970.
Investigating the influence of reaction conditions and the properties of ceria for the valorisation of glycerol - dataset - Smith L, Smith PJ, Douthwaite JM, Dummer NF, Hutchings GJ, Taylor SH, Howard M, Willock DJ, Knight DW (2019). Cardiff University. 10.17035/d.2019.0067888810.
Comparing the utility of different classification schemes for emotive language analysis - Williams L, Spasic I, Artemiou A, Arribas-Ayllon M (2019). Cardiff University. 10.17035/d.2019.0067889599.
Propagation losses in photonic crystal waveguides embedding InAs/GaAs quantum dots determined by direct spectral imaging - Scarpelli L, Lang B, Masia F, Langbein WW (2019). Cardiff University. 10.17035/d.2019.0067928286.
Heterodyne dual-polarization epi-detected CARS microscopy for chemical and topographic imaging of interfaces - Langbein WW, Harlow DS, Regan DC, Pope I, Borri P (2019). Cardiff University. 10.17035/d.2019.0067933588.
99% beta factor and directional coupling of quantum dots to fast light in photonic crystal waveguides determined by spectral imaging - dataset - Scarpelli L, Langbein WW, Masia F, Muljarov E, (2019). Cardiff University. 10.17035/d.2019.0067980126.
Interaction of H2O with the platinum Pt (001), (011) and (111) surfaces: a density functional theory study with long-range dispersion corrections - data - Ungerer MJ, Santos-Carballal D, Cadi-Essadek A, van Sittert CGCE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0068143277.
Manganese-Catalyzed N-Alkylation of Sulfonamides Using Alcohols - Reed-Berendt BG, Morrill LC (2019). Cardiff University. 10.17035/d.2019.0069100566.
Nuclear spin assisted quantum tunnelling of magnetic monopoles in spin ice - Giblin SR, Paulsen C, Lhotel E (2019). Cardiff University. 10.17035/d.2019.0069144874.
Superconducting boron doped nanocrystalline diamond on boron nitride ceramics - Mandal S, Bland HA, Cuenca JA, Snowball M, Williams OA (2020). Cardiff University. 10.17035/d.2019.0069330616.
Recent advances in dual mode charge compensation for XPS analysis - Morgan DJ, Edwards LE (2019). Cardiff University. 10.17035/d.2019.0069433902.
Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a eynamic coordination sphere - Bahili MA, Stokes EC, Amesbury RC, Ould DMC, Christo B, Horne RJ, Kariuki BM, Stewart JA, Taylor RL, Williams PA, Ward BD (2019). Cardiff University. 10.17035/d.2019.0069570379.
On the Derivation of Macroscopic Models for Compressible Viscoelastic Fluids using the Generalized Bracket Framework - Alexander Mackay; Timothy Phillips (2019). Cardiff University. 10.17035/d.2019.0069612855.
Selected energy dark-field imaging using low energy electrons for optimal surface phase discrimination - Niu Y, Pereiro J, Gomez D, Jesson DE (2019). Cardiff University. 10.17035/d.2019.0069660004.
Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation - Melen RL, Carden JL, Wass D, Gierlichs LJ, Browne DL (2019). Cardiff University. 10.17035/d.2019.0069666551.
Microscopy and gene expression data for Candida albicans virulence attributes - Morse DJ, Williams DD, Wilson MJ, Wei X, Lewis MAO (2019). Cardiff University. 10.17035/d.2019.0069893483.
Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: A DFT study [Dataset] - Quesne M, Roldan A, de Leeuw NH, Catlow CRA (2019). Cardiff University. 10.17035/d.2019.0070602444.
Hippocampal Blood Flow after Twenty Minutes of Moderate-intensity Exercise - Steventon JJ, Foster C, Furby H, Helme D, Wise RG, Murphy K (2019). Cardiff University. 10.17035/d.2019.0070728670.
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