- Molecular Simulations for solving of material structureNBCM055 | Faculty of Mathematics and Physics
- Molecular SimulationsNUFY068 | Faculty of Mathematics and Physics
- X-ray and Electron Structure Analysis of Biomolecules and MacromoleculesNBCM098 | Faculty of Mathematics and Physics
- Computational Experiments in Molecular Theory INBCM100 | Faculty of Mathematics and Physics

- Study of the betulin molecule in a water environment; ab initio and molecular simulation calculations2012 | Faculty of Mathematics and Physics
- Porphyrins Intercalated in Zn/Al and Mg/Al Layered Double Hydroxides: Properties and Structural Arrangement2010 | Faculty of Mathematics and Physics, Faculty of Science
- A molecular mechanic study of some factors causing high density of nitro compounds2010 | Faculty of Mathematics and Physics
- Effect of Intermolecular Forces on Some Properties of Explosives II.Influence of Non-covalent Hydrogen Bond2003 | Faculty of Mathematics and Physics
- Linker-Functionalized Phosphinate Metal-Organic Frameworks: Adsorbents for the Removal of Emerging Pollutants2023 | Faculty of Mathematics and Physics, Faculty of Science, Central Library of Charles University
- Intercalation of atorvastatin and valsartan into Mg-Al layered double hydroxide host using a restacking procedure2023 | Faculty of Mathematics and Physics
- 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
- Is imogolite a suitable adsorbent agent for the herbicides like diuron and atrazine?2023 | Faculty of Mathematics and Physics
- How herbicides like atrazine and diuron interact with the spiral halloysite structure2022 | Faculty of Mathematics and Physics
- Interactions among TiO2 and palygorskite revealed: Boost for stability of well-known photocatalyst2021 | Faculty of Mathematics and Physics

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