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On the ground state electronic structure of uranium dioxide
Krack, M. (2015). On the ground state electronic structure of uranium dioxide. Physica Scripta, 90(9), 094014 (7 pp.). https://doi.org/10.1088/0031-8949/90/9/094014
A procedure for bypassing metastable states in local basis set DFT+U calculations and its application to uranium dioxide surfaces
Rabone, J., & Krack, M. (2013). A procedure for bypassing metastable states in local basis set DFT+U calculations and its application to uranium dioxide surfaces. Computational Materials Science, 71, 157-164. https://doi.org/10.1016/j.commatsci.2013.01.023
Neutron photocrystallography: simulation and experiment
Schefer, J., Schaniel, D., Petříček, V., & Woike, T. (2008). Neutron photocrystallography: simulation and experiment. Zeitschrift für Kristallographie, 223(4-5), 259-264. https://doi.org/10.1524/zkri.2008.0025
In-situ neutron scattering studies of order and decomposition in Ni-rich Ni–Ti
Bucher, R., Demé, B., Heinrich, H., Kohlbrecher, J., Kompatscher, M., Kostorz, G., … Zolliker, M. (2002). In-situ neutron scattering studies of order and decomposition in Ni-rich Ni–Ti. Materials Science and Engineering A: Structural Materials: Properties, Microstructure and Processing, 324(1-2), 77-81. https://doi.org/10.1016/S0921-5093(01)01287-4