Research Datasets (75)

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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.
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.
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 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 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.
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.
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.
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.
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.
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