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quantum chemistry calculations
Publication
Class
Person
Publication
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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
Structure of a diazadiphosphetidine with a planar NPNP ring
2014 |
Faculty of Science
publication
van der Waals coefficients for systems with ultracold polar alkali-metal molecules
2013 |
Faculty of Mathematics and Physics
publication
Calculations of Structures and Energetics of Organic Ions Relevant to Gas Phase Ion Chemistry
2022 |
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
publication
Counterion-Induced Aggregation of Metallacarboranes
2022 |
Faculty of Science
publication
Synthesis, antimicrobial evaluation and molecular modeling of 5-hydroxyisoquinolinium salt series; the effect of the hydroxyl moiety
2016 |
Faculty of Pharmacy in Hradec Králové
publication
Lowest autodetachment state of the water anion
2016 |
Faculty of Mathematics and Physics
publication
Paramagnetic Cobalt(II) Complexes with Cyclam Derivatives: Toward 19F MRI Contrast Agents
2020 |
Faculty of Science
publication
Role of Environmental Dynamic Polarizability in Static Excited State Properties of Embedded Molecular Systems: Application to Disordered Fluorographene Systems
2023 |
Faculty of Mathematics and Physics
publication
Gas phase H+, H3O+ and NH4+ affinities of oxygen-bearing volatile organic compounds; DFT calculations for soft chemical ionisation mass spectrometry
2023 |
Faculty of Mathematics and Physics
publication
CHALLENGES OF SOFT CHEMICAL IONIZATION MASS SPECROMENTRY: ION CHEMISTRY OF GLYOXAL
2018 |
Faculty of Mathematics and Physics