Classes
- Ab Initio Methods and Density Functional Theory INBCM121 | Faculty of Mathematics and Physics
- Ab Initio Methods and Density Functional Theory IINBCM122 | Faculty of Mathematics and Physics
- Quantum Theory of MoleculesNBCM039 | Faculty of Mathematics and Physics
- Seminar on Theoretical Chemical PhysicsNBCM046 | Faculty of Mathematics and Physics
- Practical Exercises in Quantum Theory of Molecules INBCM099 | Faculty of Mathematics and Physics
- Practical Exercises in Quantum Theory of Molecules IINBCM116 | Faculty of Mathematics and Physics
- Computational Experiments in Molecular Theory IINBCM125 | Faculty of Mathematics and Physics
- Theoretical seminar of biophysics and chemical physicsNBCM180 | Faculty of Mathematics and Physics
- General ChemistryNBCM183 | Faculty of Mathematics and Physics
Publications
- The vertical excitation energies and a lifetime of the two lowest singlet excited states of the conjugated polyenes from C2 to C22: Ab initio, DFT, and semiclassical MNDO-MD simulations2023 | Faculty of Mathematics and Physics
- Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5-Aza-cytosine, and the Triazine Family: Quantum Mechanics-Molecular Mechanics Studies2023 | Faculty of Mathematics and Physics
- Estimation of electron absorption spectra and lifetime of the two lowest singlet excited states of pyrimidine nucleobases and their derivatives2022 | Faculty of Mathematics and Physics
- A new grand-canonical potential for the thermodynamic description of the reactions in solutions with constant pH2021 | Faculty of Mathematics and Physics, Central Library of Charles University
- 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
- A Dogma in Doubt: Hydrolysis of Equatorial Ligands of Pt-IV Complexes under Physiological Conditions2019 | Faculty of Mathematics and Physics
- Square-Planar Pt(II) and WI) Complexes as the Lewis Bases: Donor Acceptor Adducts with Group 13 Trihalides and Trihydrides2019 | Faculty of Mathematics and Physics
- Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study2018 | Faculty of Mathematics and Physics
- Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study2018 | Faculty of Mathematics and Physics
- Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants2018 | Faculty of Mathematics and Physics
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