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Quantum chemistry
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publication
Strongly Correlated Systems and the Method of the Renormalization Group Matrix in Quantum Chemistry
2018 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
Relativistic quantum chemistry on quantum computers
2012 |
Faculty of Science
publication
Reaching high precision of binding energies in molecular solids using quantum chemistry methods
2021 |
Faculty of Mathematics and Physics
publication
Computational Study of Organometallic Interactions with Models of DNA/RNA and Proteins Using Tools of Quantum Chemistry and Molecular Mechanics
Publication without faculty affiliation
publication
Modeling interactions in biomolecules VIII, Plzeň
Publication without faculty affiliation
publication
Towards accurate methods for the description of molecular solids
2019 |
Faculty of Mathematics and Physics
publication
Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry
2015 |
Faculty of Science
publication
A New Insight into the Stereoelectronic Control of the Pd-0-Catalyzed Allylic Substitution: Application for the Synthesis of Multisubstituted Pyran-2-ones via an Unusual 1,3-Transposition
2019 |
Faculty of Science, Faculty of Pharmacy in Hradec Králové
publication
Quantitative relationships between structure and antimycobacterial activity in selected potential antituberculotics
Publication without faculty affiliation
publication
Accurate methods for the description of binding energies of molecular solids
2020 |
Faculty of Mathematics and Physics
publication
Tautomerism of azo dyes in the solid state studied by N-15, N-14, C-13 and H-1 NMR spectroscopy, X-ray diffraction and quantum-chemical calculations
2020 |
Faculty of Science, Central Library of Charles University
publication
Computational Modelling of Optical Activity of G-Quadruplexes
2022 |
Faculty of Mathematics and Physics
publication
The oxidative polymerization of p-phenylenediamine with silver nitrate: Towards highly conducting micro/nanostructured silver/conjugated polymer composites,
2011 |
Faculty of Mathematics and Physics
publication
Towards Calculation of Accurate Adsorption Energies
2019 |
Faculty of Mathematics and Physics
publication
Massively parallel quantum chemical density matrix renormalization group method
2020 |
Faculty of Mathematics and Physics
publication
Mutual information prediction for strongly correlated systems
2023 |
Faculty of Mathematics and Physics
publication
Quantum computing applied to calculations of molecular energies: CH2 benchmark
2010 |
Faculty of Science
publication
Mapping Conformational Space of All 8000 Tripeptides by Quantum Chemical Methods: What Strain Is Affordable within Folded Protein Chains?
2021 |
Central Library of Charles University
publication
Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein
2021 |
Central Library of Charles University
publication
Preparation and separation of telechelic carborane-containing poly(ethylene glycols)
2013 |
Faculty of Science
publication
Structure of a diazadiphosphetidine with a planar NPNP ring
2014 |
Faculty of Science
publication
Chalcogen Bonding in Protein-Ligand Complexes: PDB Survey and Quantum Mechanical Calculations
2018 |
Faculty of Science
publication
Spectral characterization of the main pigments in the plant photosynthetic apparatus by theory and experiment
2022 |
Faculty of Mathematics and Physics
publication
Distant Symmetry Control in Electron-Induced Bond Cleavage
2022 |
Faculty of Mathematics and Physics
publication
FT-IR, FT-Raman and DFT calculations of the salicylanilide derivate 4-chloro-2-(4-bromophenylcarbamoyl)phenyl acetate
2009 |
Central Library of Charles University
publication
FT-IR, FT-Raman and DFT calculations of the salicylanilide derivate 4-chloro-2-(4-bromophenylcarbamoyl)phenyl acetate
2009 |
Faculty of Pharmacy in Hradec Králové
publication
FT-IR, FT-Raman, and computational calculations of 4-chloro-2-(3-chlorophenyl carbamoyl)phenyl acetate
2009 |
Central Library of Charles University
publication
FT-IR, FT-Raman, and computational calculations of 4-chloro-2-(3-chlorophenyl carbamoyl)phenyl acetate
2009 |
Faculty of Pharmacy in Hradec Králové
publication
Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid
2013 |
Faculty of Mathematics and Physics
publication
Magnetron sputter deposition of silver onto castor oil: The effect of plasma parameters on nanoparticle properties
2021 |
Faculty of Mathematics and Physics