Classes
Publications
- Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs2015 | Faculty of Science, Central Library of Charles University
- Catalysis by Dynamically Formed Defects in a Metal-Organic Framework Structure: Knoevenagel Reaction Catalyzed by Copper Benzene-1,3,5-tricarboxylate2014 | Faculty of Science
- Theoretical investigation of the Friedlander reaction catalysed by CuBTC: Concerted effect of the adjacent Cu(2+) sites2013 | Faculty of Science, Central Library of Charles University
- Comparison of the catalytic activity of MOFs and zeolites in Knoevenagel condensation2013 | Faculty of Science, Central Library of Charles University
- Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation2011 | Faculty of Science
- The need for operando modelling of 27Al NMR in zeolites: The effect of temperature, topology and water2023 | Faculty of Science
- Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum2023 | Faculty of Science
- Accurate large-scale simulations of siliceous zeolites by neural network potentials2022 | Faculty of Science
- Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure2021 | Faculty of Science
- The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis2021 | Faculty of Science
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