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conical intersection
Person
Class
Person
Publication
Programmes
prof. RNDr. Ing. Jaroslav Burda DrSc.
Academic staff at Faculty of Mathematics and Physics
9 classes
126 publications
Classes
class
Quantum Theory of Molecules
NBCM039 |
Faculty of Mathematics and Physics
class
Seminar on Theoretical Chemical Physics
NBCM046 |
Faculty of Mathematics and Physics
class
Practical Exercises in Quantum Theory of Molecules I
NBCM099 |
Faculty of Mathematics and Physics
class
Practical Exercises in Quantum Theory of Molecules II
NBCM116 |
Faculty of Mathematics and Physics
class
Ab Initio Methods and Density Functional Theory I
NBCM121 |
Faculty of Mathematics and Physics
class
Ab Initio Methods and Density Functional Theory II
NBCM122 |
Faculty of Mathematics and Physics
class
Computational Experiments in Molecular Theory II
NBCM125 |
Faculty of Mathematics and Physics
class
Theoretical seminar of biophysics and chemical physics
NBCM180 |
Faculty of Mathematics and Physics
class
General Chemistry
NBCM183 |
Faculty of Mathematics and Physics
Publications
publication
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 simulations
2023 |
Faculty of Mathematics and Physics
publication
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 Studies
2023 |
Faculty of Mathematics and Physics
publication
Estimation of electron absorption spectra and lifetime of the two lowest singlet excited states of pyrimidine nucleobases and their derivatives
2022 |
Faculty of Mathematics and Physics
publication
A new grand-canonical potential for the thermodynamic description of the reactions in solutions with constant pH
2021 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
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 pH
2020 |
Faculty of Mathematics and Physics
publication
A Dogma in Doubt: Hydrolysis of Equatorial Ligands of Pt-IV Complexes under Physiological Conditions
2019 |
Faculty of Mathematics and Physics
publication
Square-Planar Pt(II) and WI) Complexes as the Lewis Bases: Donor Acceptor Adducts with Group 13 Trihalides and Trihydrides
2019 |
Faculty of Mathematics and Physics
publication
Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study
2018 |
Faculty of Mathematics and Physics
publication
Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study
2018 |
Faculty of Mathematics and Physics
publication
Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants
2018 |
Faculty of Mathematics and Physics
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