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density functional theory calculations
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doc. RNDr. Vojtěch Chlan Ph.D.
Academic staff at Faculty of Mathematics and Physics
8 classes
61 publications
Classes
class
Radiofrequency Spectroscopy of Solids
NFPL092 |
Faculty of Mathematics and Physics
class
Selected Topics on Magnetic Resonance Theory and Methodology
NFPL093 |
Faculty of Mathematics and Physics
class
Nuclear Methods in Magnetic Systems Studies
NFPL129 |
Faculty of Mathematics and Physics
class
NMR in Magnetically Ordered Materials
NFPL175 |
Faculty of Mathematics and Physics
class
Quantum Description of NMR
NFPL179 |
Faculty of Mathematics and Physics
class
Seminar on Radiofrequency Spectroscopy in Condensed Matter
NFPL184 |
Faculty of Mathematics and Physics
class
NMR Spectra Simulation
NFPL201 |
Faculty of Mathematics and Physics
class
Ab-initio simulation of functional materials for green technologies
NFPL220 |
Faculty of Mathematics and Physics
Publications
publication
Gallium preference for the occupation of tetrahedral sites in Lu-3(Al5-xGax)O-12 multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations
2019 |
Faculty of Mathematics and Physics
publication
Orientation and dynamics of water molecules in beryl
2023 |
Faculty of Mathematics and Physics
publication
Low-temperature ground state structure of PbTiO3
2023 |
Faculty of Mathematics and Physics
publication
Magnetic phase diagram, phase transitions, and cation distribution in Pb1-xBax(Fe0.5Nb0.5)O3 perovskites
2022 |
Faculty of Mathematics and Physics, Faculty of Science
publication
Incorporation of the Ce3+ activator ions in LaAlO(3 )crystals: EPR and NMR study
2022 |
Faculty of Mathematics and Physics
publication
Li+ incorporation and defect-creation processes imposed by X-ray and UV irradiation in Li-codoped Y3Al5O12:Ce scintillation crystals
2022 |
Faculty of Mathematics and Physics
publication
Competing magnetic states in multiferroic BaYFeO4: A high magnetic field study
2021 |
Faculty of Mathematics and Physics
publication
The role of chromium in iron-based high-temperature water-gas shift catalysts under industrial conditions
2021 |
Faculty of Mathematics and Physics
publication
Exploring Structural Disorders in Aluminum-Containing Metal-Organic Frameworks: Comparison of Solid-State Al-27 NMR Powder Spectra to DFT Calculations on Bulk Periodic Structures
2020 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
NMR studies of the ground states of Ni50-xCoxMn35In15 (x=1, 2.5) and Ni45Co5Mn37In13 Heusler alloys
2020 |
Faculty of Mathematics and Physics
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