Classes
- 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
- 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
- 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
- Reactions of cisplatin and glycine in solution with constant pH: a computational study2012 | Faculty of Mathematics and Physics
- Activation barriers and rate constans for hydration of platinum and palladium square-planar complexes: An ab initio study2004 | Faculty of Mathematics and Physics, Central Library of Charles University
- A Systematic ab Initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues2001 | Faculty of Mathematics and Physics, Central Library of Charles University
- The influence of square planar platinum complexes on DNA base pairing. An ab initio DFT study.2001 | Faculty of Mathematics and Physics
- Interaction of square platinum(II) complexes with guanine and adenine. Quantum chemical ab initio study of metalated tautomer forms.2000 | Faculty of Mathematics and Physics
- 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
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