- Tracking Aqueous Proton Transfer by Two-Dimensional Infrared Spectroscopy and ab Initio Molecular Dynamics Simulations2019 | Faculty of Mathematics and Physics
- Comparison of Grain Boundary Structure in Metals and Semiconductors as Probed by Positrons2014 | Faculty of Mathematics and Physics
- Tungsten oxide nanowire on copper surfaces: a DFT model2016 | Faculty of Mathematics and Physics
- Constructing Collective Variables Using Invariant Learned Representations2023 | Faculty of Science, Faculty of Mathematics and Physics
- Tetrapeptide unfolding dynamics followed by core-level spectroscopy: a first-principles approach2015 | Faculty of Mathematics and Physics
- Theoretical investigation of layered zeolites with MWW topology: MCM-22P vs. MCM-562014 | Faculty of Science, Central Library of Charles University
- The effect of water on the validity of Lowenstein's rule2019 | Faculty of Science
- Local electronic structure of doping defects on Tl/Si(111)1x12019 | Faculty of Mathematics and Physics
- Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum2023 | Faculty of Science
- QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH2020 | Faculty of Mathematics and Physics
- Establishing structure-sensitivity of ceria reducibility: real-time observations of surface hydrogen interactions2020 | Faculty of Mathematics and Physics
- The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis2021 | Faculty of Science
- Revealing the local properties of β-HP4N7, a promising candidate for high pressure synthesis of new materials2015 | Faculty of Science
- Formamide-Based Post-impact Thermal Prebiotic Synthesis in Simulated Craters: Intermediates, Products and Mechanism2022 | Faculty of Science, Central Library of Charles University
- Accurate large-scale simulations of siliceous zeolites by neural network potentials2022 | Faculty of Science
- Control of Polaronic Behavior and Carrier Lifetimes via Metal and Anion Alloying in Chalcogenide Perovskites2022 | Faculty of Science
- NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites2022 | Faculty of Mathematics and Physics
- Fast room temperature lability of aluminosilicate zeolites2019 | Faculty of Science
- Unexpected Photoreactivity in a NO2-Functionalized Aluminum-MOF2015 | Faculty of Science
- Mechanism of Zeolite Hydrolysis under Basic Conditions2021 | Faculty of Science
- HNCO-based synthesis of formamide in planetary atmospheres2018 | Faculty of Science, Central Library of Charles University
- Amorphous boron phosphide: An ab initio investigation2021 | Faculty of Science
- Benzene Radical Anion in the Context of the Birch Reduction: When Solvation Is the Key2020 | Faculty of Mathematics and Physics
- Development of Classical Force Fields for Interfaces between Single Molecules and Au2022 | Faculty of Mathematics and Physics
- Structure of Zinc and Nickel Histidine Complexes in Solution Revealed by Molecular Dynamics and Raman Optical Activity2022 | Faculty of Mathematics and Physics
- Temperature Dependence of Carbon Monoxide Adsorption on a Temperature Dependence of Carbon Monoxide Adsorption on a High-Silica H-FER Zeolite2018 | Faculty of Science, Faculty of Mathematics and Physics
- Dielectric ordering of water molecules arranged in a dipolar lattice2020 | Faculty of Mathematics and Physics
- Electronic structure of the solvated benzene radical anion2022 | Faculty of Mathematics and Physics
- Understanding the wetting of transition metal dichalcogenides from an ab initio perspective2023 | Faculty of Mathematics and Physics
- The Quest for Accurate Liquid Water Properties from First Principles2018 | Faculty of Mathematics and Physics