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augmented-wave method
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Origin of the Spin-Orbital Liquid State in a Nearly J=0 Iridate Ba3ZnIr2O9
Publication without faculty affiliation
publication
Computational investigation of the lewis acidity in three-dimensional and corresponding two-dimensional zeolites: UTL vs IPC-1P
2014 |
Faculty of Science, Central Library of Charles University
publication
Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites
2011 |
Faculty of Science
publication
Lattice energies of molecular solids from the random phase approximation with singles corrections
2016 |
Faculty of Mathematics and Physics
publication
Water Chemistry on Model Ceria and Pt/Ceria Catalysts
2012 |
Faculty of Mathematics and Physics
publication
Palladium clusters on graphene support: An ab initio study
2016 |
Faculty of Science, Central Library of Charles University
publication
On the interaction of Mg with the (111) and (110) surfaces of ceria
2012 |
Faculty of Mathematics and Physics
publication
Cubic scaling GW: Towards fast quasiparticle calculations
2016 |
Faculty of Mathematics and Physics
publication
Beyond the quasiparticle approximation: Fully self-consistent GW calculations
2018 |
Faculty of Mathematics and Physics
publication
Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound
2018 |
Faculty of Mathematics and Physics
publication
Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER
2010 |
Faculty of Science, Central Library of Charles University
publication
Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials
2017 |
Faculty of Mathematics and Physics
publication
Low temperature a/b nanotwins in Ni50Mn25+xGa25-x Heusler alloys
2018 |
Faculty of Mathematics and Physics
publication
Synthesis of quinolines via Friedlander reaction catalyzed by CuBTC metal-organic-framework
2012 |
Faculty of Science
publication
Bonding mechanism and magnetic ordering in Laves phase λ1-MgCo2 intermetallic compound from theoretical and experimental studies
2023 |
Faculty of Mathematics and Physics
publication
First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloys
2020 |
Faculty of Mathematics and Physics