| DFT+ U study of the structures and properties of the actinide dioxides JT Pegg, X Aparicio-Angles, M Storr, NH de Leeuw Journal of Nuclear Materials 492, 269-278, 2017 | 108 | 2017 |
| Hidden magnetic order in plutonium dioxide nuclear fuel JT Pegg, AE Shields, MT Storr, AS Wills, DO Scanlon, NH de Leeuw Physical Chemistry Chemical Physics 20 (32), 20943-20951, 2018 | 45 | 2018 |
| Magnetic structure of UO 2 and NpO 2 by first-principle methods JT Pegg, AE Shields, MT Storr, AS Wills, DO Scanlon, NH De Leeuw Physical Chemistry Chemical Physics 21 (2), 760-771, 2019 | 38 | 2019 |
| Noncollinear Relativistic DFT + U Calculations of Actinide Dioxide Surfaces JT Pegg, AE Shields, MT Storr, DO Scanlon, NH De Leeuw The Journal of Physical Chemistry C 123 (1), 356-366, 2018 | 18 | 2018 |
| The defect chemistry of non-stoichiometric PuO 2±x WD Neilson, JT Pegg, H Steele, ST Murphy Physical Chemistry Chemical Physics 23 (8), 4544-4554, 2021 | 16 | 2021 |
| Interaction of Hydrogen with Actinide Dioxide (011) Surfaces JT Pegg, AE Shields, MT Storr, DO Scanlon, NH de Leeuw The Journal of Chemical Physics 153 (1), 014705, 2020 | 10 | 2020 |
| Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting GH Ning, P Cui, IV Sazanovich, JT Pegg, Q Zhu, Z Pang, RJ Wei, ... Chem 7 (11), 3157-3170, 2021 | 9 | 2021 |
| Interaction of hydrogen with actinide dioxide (111) surfaces JT Pegg, AE Shields, MT Storr, DO Scanlon, NH De Leeuw The Journal of chemical physics 150 (13), 2019 | 8 | 2019 |
| A noncollinear relativistic computational study of the actinide dioxides and their interaction with hydrogen JT Pegg UCL (University College London), 2018 | 5 | 2018 |
NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The NetherlandsBestätigte E-Mail-Adresse bei leeds.ac.uk
