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Ab initio calculation
Publication
Class
Person
Publication
Programmes
publication
QSAR-study by use ab-initio calculations
Publication without faculty affiliation
publication
Ab initio calculations of Curie temperatures in GdX compounds
2006 |
Faculty of Mathematics and Physics
publication
Ab initio calculations of transport properties of epitaxial (Ga,Mn)As systems
2007 |
Faculty of Mathematics and Physics
publication
Magnetic properties of PrRhIn5--Experimental study and ab initio calculations
2008 |
Faculty of Mathematics and Physics
publication
Bulk and epitaxial Co2MnSi systems with antisite disorder: Ab initio calculations
2008 |
Faculty of Mathematics and Physics
publication
Convergence study of the ab-initio calculated quadratic magneto-optical spectra in bcc Fe
2018 |
Faculty of Mathematics and Physics
publication
Ab-initio calculation of electronic structure of partially inverted manganese ferrite
2010 |
Faculty of Mathematics and Physics
publication
Ab-Initio Calculations Of Layered Topological Insulators Under Chemical And Structural Disorder
2019 |
Faculty of Mathematics and Physics
publication
Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters (Article No. 244102)
2008 |
Faculty of Mathematics and Physics
publication
Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid - C12H10ClN3O
2008 |
Central Library of Charles University
publication
Pressure effect on magnetic moments in ordered Ni3Mn and disordered Ni100-xMnx alloys: ab initio calculation and experiment
2011 |
Faculty of Mathematics and Physics
publication
Residual resistivity of (Ga,Mn)As alloys from ab initio calculations
2004 |
Faculty of Mathematics and Physics
publication
Magnetovolume effect in RCo2 compounds (R = Gd, Dy, Er) from ab initio calculations
2003 |
Faculty of Mathematics and Physics
publication
Self healing of radiation-induced damage in Fe-Au and Fe-Cu alloys: Combining positron annihilation spectroscopy with TEM and ab initio calculations
2020 |
Faculty of Mathematics and Physics
publication
Ab initio calculations of spin-spin coupling constants in anhydrodeoxythymidines
2000 |
Faculty of Mathematics and Physics
publication
Ab initio calculation of crystal field in UO2
1995 |
Publication without faculty affiliation
publication
Ab initio calculation of the anisotropic magnetoresistance in Ni1-cFec bulk alloys (article No. 012402)
2003 |
Faculty of Mathematics and Physics
publication
Fermi surface studies of UGa3 - positron annihilation experiment and ab-initio calculations
2003 |
Faculty of Mathematics and Physics
publication
Tunneling junctions under finite bias voltages: Ab initio calculations of electron densities and currents
2004 |
Faculty of Mathematics and Physics
publication
Semi-empirical and ab-initio calculations of the crystal field interaction in rare earth cuprates
2001 |
Faculty of Mathematics and Physics
publication
Ab initio calculated magnetism and magnetocrystalline anisotropy of UGa2
1995 |
Publication without faculty affiliation
publication
Ab Initio Calculations of Vibrational Spectra of Sodium Dimethylphosphate
+1
1995 |
Publication without faculty affiliation
publication
GW Approximation for ab-initio Calculation of Molecular Transport
2020 |
Faculty of Mathematics and Physics
publication
Thermal transport in CuCr2X4 (X = S, Se, Te): Experiment and ab initio calculations
2021 |
Faculty of Science
publication
Ab initio calculations of exchange interactions, spin-wave stiffness constants and Curie temperatures of Fe, Co and Ni
2001 |
Faculty of Mathematics and Physics
publication
An interaction of ellipticine derivatives with DNA base pairs (ab initio calculations versus empirical potentials)
2003 |
Faculty of Science
publication
Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations
2011 |
Faculty of Mathematics and Physics
publication
Ab-initio Calculations of the Giant Magnetoresistance in Antiferromagnetic U2Pd2X Compounds
1996 |
Faculty of Mathematics and Physics
publication
Ab Initio Calculations of Temperature Dependent Resistivity for Transition Metals
2015 |
Faculty of Mathematics and Physics