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Search for publications relevant for "wave basis-set"
wave basis-set
Publication
Class
Person
Publication
Programmes
publication
Theoretical investigation of layered zeolites with MWW topology: MCM-22P vs. MCM-56
2014 |
Faculty of Science, Central Library of Charles University
publication
EuNi5InH1.5-x (x=0-1.5): hydrogen induced structural and magnetic transitions
2017 |
Faculty of Mathematics and Physics
publication
Multiscale Investigation of Oxygen Vacancies in TiO2 Anatase and Their Role in Memristor's Behavior
2016 |
Faculty of Mathematics and Physics
publication
Surfaces and morphologies of covellite (CuS) nanoparticles by means of ab initio atomistic thermodynamics
2017 |
Faculty of Science
publication
Reactivity of atomically dispersed Pt2+ species towards H-2: model Pt-CeO2 fuel cell catalyst
2016 |
Faculty of Mathematics and Physics
publication
Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3
2017 |
Faculty of Mathematics and Physics
publication
Tuning the electronic properties of monolayer and bilayer transition metal dichalcogenide compounds under direct out-of-plane compression
2017 |
Faculty of Science, Central Library of Charles University
publication
Unexpected Photoreactivity in a NO2-Functionalized Aluminum-MOF
2015 |
Faculty of Science
publication
Singles correlation energy contributions in solids
2015 |
Faculty of Mathematics and Physics
publication
Redox-mediated conversion of atomically dispersed platinum to sub-nanometer particles
2017 |
Faculty of Mathematics and Physics
publication
Understanding the Structure of Cationic Sites in Alkali Metal-Grafted USY Zeolites
2016 |
Faculty of Science
publication
The surface stability and equilibrium crystal morphology of Ni2P nanoparticles and nanowires from an ab initio atomistic thermodynamic approach
2016 |
Faculty of Science
publication
Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets
2023 |
Faculty of Mathematics and Physics
publication
Accurate methods for the description of binding energies of molecular solids
2020 |
Faculty of Mathematics and Physics
publication
Uranosphaerite: Crystal structure, hydrogen bonding, mechanics, infrared and Raman spectroscopy and thermodynamics
2020 |
Faculty of Science, Central Library of Charles University