Research Datasets (416)

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Chemical Nucleation of Diamond Films - Mandal S, Thomas ELH, Jenny TA, Williams OA (2016). Cardiff University. 10.17035/d.2016.0011631747.
Chiral carbene–borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations - Lam J, Günther BAR, Farrell JM, Eisenberger P, Bestvater BP, Newman PD, Melen RL, Crudden CM, Stephan DW (2016). Cardiff University. 10.17035/d.2016.0011648516.
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.
CO2 hydrogenation to CH3OH over PdZn catalysts, with reduced CH4 production - data - Ruiz Esquius J, Bahruji H, Taylor SH, Bowker M, Hutchings GJ (2020). Cardiff University. 10.17035/d.2020.0116381908.
CO₂ conversion into acetic acid (CH₃COOH) on the greigite Fe₃S₄{111} surface - data - Santos-Carballal D, Roldan A, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0040949136.
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.
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.
Combining the Advantages of Powder X-ray Diffraction and NMR Crystallography in Structure Determination of the Pharmaceutical Material Cimetidine Hydrochloride - Watts AE, Maruyoshi K, Hughes CE, Brown SP, Harris KDM (2016). Cardiff University. 10.17035/d.2016.0008378127.
Comment on “Normalization of quasinormal modes in leaky optical cavities and plasmonic resonators” - Langbein WW, Muljarov EA (2017). Cardiff University. 10.17035/d.2017.0038242364.
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.
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.
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.
Computational timings of Traditional and Quasi-Variational Coupled-Cluster methods - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224453.
Confocal 3D scleral fibroblast cytoskeleton - data - Markov PP, Hayes AJ, Zhu H, Boote C, Blain EJ (2020). Cardiff University. 10.17035/d.2020.0118671701.
Contrasting frustrated Lewis pair reactivity with selenium- and boron-based Lewis acids - Wilkins LC, Gunther BAR, Walther M, Lawson JR, Wirth T, Melen RL (2017). Cardiff University. 10.17035/d.2017.0011648620.
Coordinated Day-ahead Reactive Power Dispatch in Distribution Network Based on Real Power Forecast Errors - Liang J, Zhang L (2015). Cardiff University. 10.17035/d.2015.100108.
Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: coordination chemistry, ligand stability and catalysis - Ward BD, Hallett AJ, Kariuki B (2016). Cardiff University. 10.17035/d.2015.100130.
Copper oxide for potential photovoltaic application - density functional theory simulation datasets - Živković A, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2017.0043151204.
CorCenCC: Corpws Cenedlaethol Cymraeg Cyfoes – the National Corpus of Contemporary Welsh (Version 1.0.0) - Knight D, Morris S, Fitzpatrick T, Rayson P, Spasić I, Thomas E-M, Lovell A, Morris J, Evas J, Stonelake M, Arman L, Davies J, Ezeani I, Neale S, Needs J, Piao S, Rees M, Watkins G, Williams L, Muralidaran V, Tovey-Walsh B, Anthony L, Cobb T, Deuchar M, Donnelly K, McCarthy M, Scannell K (2020). Cardiff University. 10.17035/d.2020.0119878310.
CW EPR Investigation of Red-Emitting CaS:Eu Phosphors: Rationalization of Local Electronic Structure - data - Spencer JN, Murphy DM (2020). Cardiff University. 10.17035/d.2020.0115658963.
Cyanine dye mediated mitochondrial targeting enhances the anti-cancer activity of small-molecule cargoes - data - Nodling A, Mills EM, Li X, Cardella D, Sayers EJ, Jones AT, Luk LY, Tsai Y-H (2020). Cardiff University. 10.17035/d.2020.0102334803.
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.
Data for "Deoxycyanamidation of Alcohols with N-Cyano-N-Phenyl-p-Methylbenzenesulfonamide (NCTS)" - Ayres JN, Ashford MW, Stockl Y, Prudhomme V, Ling KB, Platts JA, Morrill LC (2017). Cardiff University. 10.17035/d.2017.0038300689.
Data for PhD Thesis - "Imaging Stray Magnetic Fields Using 3D Scanning Techniques" - Gibbs RM (2020). Cardiff University. 10.17035/d.2019.0079831572.
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.
Data from publication: Augmenting microbially induced carbonate precipitation of soil with the capability to self-heal - Botusharova SP, Gardner DR, Harbottle M (2020). Cardiff University. 10.17035/d.2020.0097363828.
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.
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.
Data relating to "Explicit Detection of the Mechanism of Platinum Nanoparticle Shape Control by Polyvinylpyrrolidone" - Ye J-Y, Attard GA, Brew A, Zhou Z-Y, Sun S-G, Morgan DJ, Willock DJ (2016). Cardiff University. 10.17035/d.2016.0008427040.
Dataset for Reliability Modelling and Evaluation of MMCs (modular multilevel converters) under Different Redundancy Schemes - Guo J, Wang X, Liang J, Pang H, Goncalves J (2017). Cardiff University. 10.17035/d.2017.0038063164.
Data supporting "Predicting the energy demand of buildings during triad peaks in GB" - Marmaras C, Javed A, Cipcigan LM (2017). Cardiff University. 10.17035/d.2017.0032657812.
Data supporting 'Simulation of electric vehicle driver behaviour in road transport and electric power networks' - Marmaras C, Xydas E, Cipcigan LM (2017). Cardiff University. 10.17035/d.2017.0034924002.
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.
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.
Data underpinning "N-Cyanation of Secondary Amines using Trichloroacetonitrile" - Ayres JN, Ling KB, Morrill LC (2016). Cardiff University. 10.17035/d.2016.0011295237.
Data underpinning "Reduction of Folate by Dihydrofolate Reductase from Thermotoga maritima" - Hroch L, Hughes RL, Williams T, Angelastro A, Loveridge EJ (2017). Cardiff University. 10.17035/d.2017.0033099548.
Data used for reliability analysis of half-bridge MMCs - Guo J, Liang J (2016). Cardiff University. 10.17035/d.2016.0009095138.
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.
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.
Delivery of type 1 diabetes antigen-specific immunotherapy using microneedles - Arikat F, Hanna SJ, Singh RK, Vilela L, Wong FS, Dayan CM, Coulman SA, Birchall JC (2020). Cardiff University. 10.17035/d.2019.0077300268.
Density Functional Theory Modelling of the Zeolite-mediated Tautomerization of Phenol and Catechol - Hernandez-Tamargo CE, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2016.0010313443.
Density Functional Theory Study of Ni Clusters Supported on the ZrO2(111) Surface - Cadi-Essadek A, Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2017.0032930121.
Determination of the transport lifetime limiting scattering rate in InSb / AlxIn1-x Sb quantum wells using optical surface microscopy - McIndo CJ, Hayes DG, Papageorgiou A, Hanks LA, Smith GV, Allford CP, Zhang S, Clarke EM, Buckle PD (2017). Cardiff University. 10.17035/d.2017.0031836175.
Development and application of measurement techniques for evaluating localised magnetic properties in electrical steel - Lewis NJ, Anderson PI (2017). Cardiff University. 10.17035/d.2017.0043126286.
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.
Development and testing of vascular networks for self-healing cementitious materials - data - Davies RE, Gardner DR, Jefferson AD (2020). Cardiff University. 10.17035/d.2020.0107901898.
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