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- 2015
- Computational materials science: where theory meets experiment
- 2014
- Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects
- 2013
- Reply to 'comment on ''extending Hirshfeld-I to bulk and periodic materials'''
- A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
- New functionalized metal-organic frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3): synthesis, characterization, and CO2 adsorption properties
- Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
- Extending Hirshfeld-I to bulk and periodic materials
- Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications
- 2012
- Tuning of CeO₂ buffer layers for coated superconductors through doping
- Investigation of tunable buffer layers for coated superconductors: from solid state physics to quantum chemistry
- 2011
- DFT study of La2Ce2O7: a question of order
- Novel water-based lanthanum zirconate and doped buffer layers for YBCO coated conductors
- 2010
- Tuning Of CeO2 buffer layers through doping