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doc. RNDr. Lukáš Grajciar Ph.D.
Academic staff at Faculty of Science
2 classes
34 publications
Classes
class
Quantum chemistry applications - materials properties and materials design
MC260P130 |
Faculty of Science
class
Quantum Chemistry
MC260P59 |
Faculty of Science
Publications
publication
The need for operando modelling of 27Al NMR in zeolites: The effect of temperature, topology and water
2023 |
Faculty of Science
publication
The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis
2021 |
Faculty of Science
publication
Intrinsic valley polarization in 2D magnetic MXenes: surface engineering induced spin-valley coupling
2021 |
Faculty of Science
publication
Mechanism of Zeolite Hydrolysis under Basic Conditions
2021 |
Faculty of Science
publication
Fast room temperature lability of aluminosilicate zeolites
2019 |
Faculty of Science
publication
The effect of water on the validity of Lowenstein's rule
2019 |
Faculty of Science
publication
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs
2015 |
Faculty of Science, Central Library of Charles University
publication
Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition
2012 |
Faculty of Science
publication
Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation
2011 |
Faculty of Science
publication
Constructing Collective Variables Using Invariant Learned Representations
2023 |
Faculty of Science, Faculty of Mathematics and Physics
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