ℹ️
🇬🇧
Search
Search for publications relevant for "electronic-structure calculations"
electronic-structure calculations
Publication
Class
Person
Publication
Programmes
publication
The role of ab initio electronic structure calculations in contemporary materials science, Part II
2007 |
Faculty of Mathematics and Physics
publication
The role of ab initio electronic structure calculations in contemporary materials science, Part I
2007 |
Faculty of Mathematics and Physics
publication
Study of Y-type Hexaferrite by Means of Fe-57 NMR and Electronic Structure Calculations
2014 |
Faculty of Mathematics and Physics
publication
Rare-Earth borocarbides: I. Electronic structure calculations and electric field gradients
2000 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
Ab initio electronic structure calculations of metal-vacuum-metal junctions in nonequilibrium situations
2004 |
Faculty of Mathematics and Physics
publication
Revealing chemical ordering in Pt-Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy
2015 |
Faculty of Mathematics and Physics
publication
Neutron diffraction studies and electronic structure calculation in UTX and U2T2X uranium intermetallic compounds
Publication without faculty affiliation
publication
Complex interplay of magnetic interactions in 5f-electron systems: The case of U2Ni2Sn
2020 |
Faculty of Mathematics and Physics
publication
Local surface structure and structural properties of As-Se nanolayers studied by synchrotron radiation photoelectron spectroscopy and DFT calculations
2015 |
Faculty of Mathematics and Physics
publication
Experimental and first-principle study of LuPd2Si2 superconductor
2018 |
Faculty of Mathematics and Physics
publication
Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations
2011 |
Faculty of Mathematics and Physics
publication
Cubic scaling GW: Towards fast quasiparticle calculations
2016 |
Faculty of Mathematics and Physics
publication
Siesta: Recent developments and applications
2020 |
Faculty of Mathematics and Physics
publication
Luminescent Cationic Group 4 Metallocene Complexes Stabilized by Pendant N-Donor Groups
2021 |
Central Library of Charles University, Faculty of Science
publication
Structural and electronic properties of YPd5Al2
2012 |
Faculty of Mathematics and Physics
publication
The (2)Pi(g) shape resonance of acetylene anion: an investigation with the RAC method
2016 |
Faculty of Mathematics and Physics
publication
Specific heat study of R2RhIn8 (R=Y, La, Lu) compounds
2013 |
Faculty of Mathematics and Physics
publication
Effective Magnetic Hamiltonians
2013 |
Faculty of Mathematics and Physics
publication
Prospects for sympathetic cooling of polar molecules: NH with alkali-metal and alkaline-earth atoms -- a new hope
2009 |
Faculty of Mathematics and Physics
publication
Magnetocrystalline anisotropy of magnetite
2012 |
Faculty of Mathematics and Physics
publication
Protonation of CH3N3 and CF3N3 in Superacids: Isolation and Structural Characterization of Long-Lived Methyl- and Trifluoromethylamino Diazonium Ions
2020 |
Faculty of Science
publication
Magnetic Studies of Ternary Germanides U3Co4Ge7 and U3Co2Ge7 with Strong Uniaxial Anisotropy
2012 |
Faculty of Mathematics and Physics
publication
Anisotropy of Magnetic Moments and Energy in Tetragonal Fe-Co Alloys from First Principles
2013 |
Faculty of Mathematics and Physics
publication
The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni-Mn-Ga Martensite: An Ab Initio Study
2020 |
Faculty of Mathematics and Physics
publication
Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia
2022 |
Faculty of Mathematics and Physics
publication
YPd(2)Al(3)-A new superconducting compound
2011 |
Faculty of Mathematics and Physics
publication
Bulk properties and photoelectron spectroscopy of the zeta-U-Pu phase
2011 |
Faculty of Mathematics and Physics
publication
de Haas-van Alphen measurements on the antiferromagnet URhIn5
2017 |
Faculty of Mathematics and Physics
publication
Tetrapeptide unfolding dynamics followed by core-level spectroscopy: a first-principles approach
2015 |
Faculty of Mathematics and Physics
publication
Pressure variations of the 5f magnetism in UH3
2020 |
Faculty of Mathematics and Physics