- Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry2015 | Faculty of Science
- New detail insight into Halloysite structure: Mechanism behind nanotubular morphology described by density functional theory and molecular dynamics supported by experiments2023 | Faculty of Mathematics and Physics
- Study of optically active 3-methoxy-N-(pyridin-4-yl)pyridin-4-amine intercalated into zirconium 4-sulfophenylphosphonate layers by molecular simulation methods2020 | Faculty of Mathematics and Physics
- How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in the interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods2020 | Faculty of Mathematics and Physics
- Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods2018 | Faculty of Mathematics and Physics