Research Datasets (20)
Research Area
Tris(2,4,6-trifluorophenyl)borane: An Efficient Hydroboration Catalyst - Lawson JR, Wilkins LC, Melen RL (2017). Cardiff University. 10.17035/d.2017.0038516225.
Trends and mechanisms of Guaiacol Hydrodeoxygenation on Transition Metals - data - Morteo Flores F, Roldan A, (2022). Cardiff University. 10.17035/d.2021.0143885773.
The effect of pristine and hydroxylated oxide surfaces on the guaiacol HDO process: A DFT study - data - Morteo-Flores F, Roldan A (2021). Cardiff University. 10.17035/d.2021.0134955250.
The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups - Bowden B, Davies M, Davies P, Guan S, Morgan D, Roberts V, Wotton D, (2018). Cardiff University. 10.17035/d.2018.0045183226.
Structures for cyclic carbonate calculations - Willock DJ, Perrott LT, Hutchings GJ (2017). Cardiff University. 10.17035/d.2017.0038069018.
Structural study of MFI zeolites nanosheets - Hernandez-Tamargo C, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008216746.
Structural characterisation and catalytic testing data of shell-core catalysts comprising vanadia-on-haematite - Hellier P, Bowker M, Gianolio D (2017). Cardiff University. 10.17035/d.2017.0042752202.
Research data from "The Influence of Support Materials on the Structural and Electronic Properties of Gold Nanoparticles – A DFT Study" - Engel J, Francis S, Roldan A (2018). Cardiff University. 10.17035/d.2018.0064964028.
Research data from "The influence of oxygen vacancy and Ce3+ ion positions on the properties of small gold clusters supported on CeO2-X(111)" - Engel J, Schwartz E, Catlow CRA, Roldan A (2020). Cardiff University. 10.17035/d.2020.0098139066.
Partial oxidation of greigite Fe₃S₄(001) surface by water - Santos Carballal D, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008121157.
Investigating the Effects of Surface Adsorbates on Gold and Palladium Deposition on Carbon - data - Bowden B, Davies-Jones JA, Davies M, Davies PR, Morgan DJ, Sainna MA, Willock DJ (2021). Cardiff University. 10.17035/d.2021.0132067566.
Identification of single-site gold catalysis in acetylene hydrochlorination - Malta G, Freakley SJ, Kondrat SA, Davies CJ, Dawson S, Morgan DJ, Catlow CR, Kiely CJ, Hutchings GJ (2017). Cardiff University. 10.17035/d.2017.0032403846.
Efficient green methanol synthesis from glycerol - Haider MH, Dummer NF, Knight DW, Jenkins RL, Howard M, Moulijn J, Taylor SH, Hutchings GJ (2015). Cardiff University. 10.17035/d.2015.100110.
Data for: Triethylamine-water as a switchable solvent for the synthesis of Cu/ZnO catalysts for methanol synthesis from carbon dioxide hydrogenation - Bartley JK, Wallace WT, Marsh AR, Tariq A, Hayward J, (2021). Cardiff University. 10.17035/d.2021.0133683358.
Combination of Cu/ZnO methanol synthesis catalysts and ZSM-5 zeolites to produce oxygenates from CO2 and H2 - data - Tariq A, Ruiz Esquius J, Davies TS (2021). Cardiff University. 10.17035/d.2021.0129557921.
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.
Catalytic Water Dissociation by Greigite Fe3S4 Surfaces: DFT Study - Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008383220.
Borane Catalyzed Stereoselective C–H insertion, Cyclopropanation, and Ring-Opening Reactions - data - Dasgupta A, Babaahmadi R, Slater B, Yates BF, Ariafard A, Melen RL (2020). Cardiff University. 10.17035/d.2020.0111365980.
Biomass HDO Catalysts Innovation from Atomistic Activity Predictors - data - Morteo-Flores F, Engel J, Roldan A (2020). Cardiff University. 10.17035/d.2020.0104938086.
A quantitative approach to predicting rate constants for aqueous racemization allows pointless stereoselective syntheses to be avoided - Ballard A, Buurma NJ (2017). Cardiff University. 10.17035/d.2017.0043106638.