| A highly reactive precursor in the iron sulfide system A Matamoros-Veloza, O Cespedes, BRG Johnson, TM Stawski, ... Nature communications 9 (1), 3125, 2018 | 134 | 2018 |
| Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface K Sodeyama, M Sumita, C O’Rourke, U Terranova, A Islam, L Han, ... The Journal of Physical Chemistry Letters 3 (4), 472-477, 2012 | 61 | 2012 |
| Calcium phosphate prenucleation complexes in water by means of ab initio molecular dynamics simulations G Mancardi, U Terranova, NH de Leeuw Crystal Growth & Design 16 (6), 3353-3358, 2016 | 50 | 2016 |
| Adsorption of Catechol on TiO2 Rutile (100): A Density Functional Theory Investigation U Terranova, DR Bowler The Journal of Physical Chemistry C 114 (14), 6491-6495, 2010 | 50 | 2010 |
| Binding modes of carboxylic acids on cobalt nanoparticles B Farkaš, U Terranova, NH De Leeuw Physical Chemistry Chemical Physics 22 (3), 985-996, 2020 | 32 | 2020 |
| Liquid phase hydrogenation of CO 2 to formate using palladium and ruthenium nanoparticles supported on molybdenum carbide CE Mitchell, U Terranova, I Alshibane, DJ Morgan, TE Davies, Q He, ... New Journal of Chemistry 43 (35), 13985-13997, 2019 | 27 | 2019 |
| Mechanisms of carbon dioxide reduction on strontium titanate perovskites U Terranova, F Vines, NH De Leeuw, F Illas Journal of Materials Chemistry A 8 (18), 9392-9398, 2020 | 26 | 2020 |
| Initial oxygen incorporation in the prismatic surfaces of troilite FeS U Terranova, C Mitchell, M Sankar, D Morgan, NH De Leeuw The Journal of Physical Chemistry C 122 (24), 12810-12818, 2018 | 24 | 2018 |
| Effect of hydration of the TiO 2 anatase (101) substrate on the atomic layer deposition of alumina films U Terranova, DR Bowler Journal of Materials Chemistry 21 (12), 4197-4203, 2011 | 23 | 2011 |
| CO 2 interaction with violarite (FeNi 2 S 4) surfaces: a dispersion-corrected DFT study S Posada-Pérez, D Santos-Carballal, U Terranova, A Roldan, F Illas, ... Physical Chemistry Chemical Physics 20 (31), 20439-20446, 2018 | 22 | 2018 |
| Δ self-consistent field method for natural anthocyanidin dyes U Terranova, DR Bowler Journal of Chemical Theory and Computation 9 (7), 3181-3188, 2013 | 21 | 2013 |
| Phase stability and thermodynamic properties of FeS polymorphs U Terranova, NH De Leeuw Journal of Physics and Chemistry of Solids 111, 317-323, 2017 | 19 | 2017 |
| Aqueous Fe 2 S 2 cluster: structure, magnetic coupling, and hydration behaviour from Hubbard U density functional theory U Terranova, NH de Leeuw Physical Chemistry Chemical Physics 16 (26), 13426-13433, 2014 | 18 | 2014 |
| Mixing thermodynamics and electronic structure of the Pt 1− x Ni x (0≤ x≤ 1) bimetallic alloy LM Botha, D Santos-Carballal, U Terranova, MG Quesne, MJ Ungerer, ... RSC advances 9 (30), 16948-16954, 2019 | 14 | 2019 |
| Structure and dynamics of water at the mackinawite (001) surface U Terranova, NH de Leeuw The Journal of Chemical Physics 144 (9), 2016 | 14 | 2016 |
| Coating TiO2 Anatase by Amorphous Al2O3: Effects on Dyes Anchoring Through Carboxyl Groups U Terranova, DR Bowler The Journal of Physical Chemistry C 116 (7), 4408-4415, 2012 | 13 | 2012 |
| A surface oxidised Fe–S catalyst for the liquid phase hydrogenation of CO 2 CE Mitchell, U Terranova, AM Beale, W Jones, DJ Morgan, M Sankar, ... Catalysis Science & Technology 11 (3), 779-784, 2021 | 11 | 2021 |
| The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study B Farkaš, U Terranova, NH de Leeuw Journal of Materials Chemistry B 9 (24), 4915-4928, 2021 | 8 | 2021 |
| Residues surrounding the active centre of carbon monoxide dehydrogenase are key in converting CO2 to CO U Terranova JBIC Journal of Biological Inorganic Chemistry 26 (5), 617-624, 2021 | 6 | 2021 |
| Controlling the Lithium Intercalation Voltage in the Li (Mn1–xNix) 2O4 Spinel via Tuning of the Ni Concentration: a Density Functional Theory Study KT Malatji, D Santos-Carballal, U Terranova, PE Ngoepe, NH de Leeuw South African Journal of Chemistry 74, 3–7-3–7, 2021 | 6 | 2021 |
NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The Netherlands在 leeds.ac.uk 的电子邮件经过验证
