- The Trans Effect in Square-Planar Platinum(II) ComplexesA Density Functional Study2008 | Faculty of Mathematics and Physics
- Density functional approach for inhomogeneous star polymer fluids (Article No. 032801)2005 | Publication without faculty affiliation
- Structural discontinuity in the hexagonal RTAl compounds: Experiments and density-functional theory calculations2008 | Faculty of Mathematics and Physics
- Contact hyperfine field at Fe nuclei from density functional calculations2010 | Faculty of Mathematics and Physics
- Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding2023 | Faculty of Mathematics and Physics
- Theoretical Study of Hydrated Copper(II) Interactions with Guanine: A Computational Density Functional Theory Study2008 | Faculty of Mathematics and Physics
- Local atomic arrangement in LaCuAl3 and LaAuAl3 by NMR and density functional theory2019 | Faculty of Mathematics and Physics
- Time-dependent density functional theory with Skyrme forces: Description of giant resonances in deformned nuclei2008 | Faculty of Mathematics and Physics
- Tracking of the Polyproline Folding by Density Functional Computations and Raman Optical Activity Spectra2011 | Faculty of Mathematics and Physics
- Density functional study of UrSi and URhGe2001 | Faculty of Mathematics and Physics
- Spectral permittivity tensor and density functional theory calculations on the Hensler compound Co2FeAl0.5Si0.52021 | Faculty of Mathematics and Physics
- Magnetism of URhSi and URhGe: a Density functional study2002 | Publication without faculty affiliation
- Density functional prediction of magnetic ground state of UFeSi2001 | Faculty of Mathematics and Physics
- Density functional prediction of a magnetic ground state of UFeSi2000 | Faculty of Mathematics and Physics
- Gallium preference for the occupation of tetrahedral sites in Lu-3(Al5-xGax)O-12 multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations2019 | Faculty of Mathematics and Physics
- Density functional calculations of the pseudorotational flexibility of tetrahydrofuran1998 | Faculty of Mathematics and Physics, Central Library of Charles University
- Density functional calculation of the crystal field in cuprates1997 | Faculty of Mathematics and Physics
- Density functional theory of crystal field in dioxides1996 | Faculty of Mathematics and Physics
- Density Functional Calculations of Magnetism in Np2T2X Compounds1996 | Faculty of Mathematics and Physics
- Density Functional Calculation of the Crystal Field Interaction in Rare Earth Intermetallic Compounds2003 | Faculty of Mathematics and Physics
- Tuning of the gold work function by carborane films studied using density functional theoryPublication without faculty affiliation
- Density Functional Calculations of the Crystal Field in UPd3, UGa2 and UPd2Al31996 | Faculty of Mathematics and Physics
- The Prediction of Raman Spectra by Density Functional Theory: Preliminary Findings1995 | Publication without faculty affiliation
- Density functional calculations of the crystal field in UPd3, UGa2, and UPd2Al31995 | Publication without faculty affiliation
- The potential of dispersion-corrected density functional theory calculations for distinguishing between salts and cocrystals2022 | Faculty of Mathematics and Physics
- Density functional calculation of the crystal field interaction in rare earth cuprate1998 | Faculty of Mathematics and Physics
- Density functional calculation of the cryslal field interaction in rare earth cuprates1997 | Faculty of Mathematics and Physics
- Crystal field and magnetism of RGa2(R-Ce,Er) compounds derived from density functional calculations1997 | Faculty of Mathematics and Physics
- Magnetism and magnetocrystalline anisotropy of Np2T2X(T-Co, Ni, Ru, Rh, Pd, Ir, Pt, X-In, Sn) compouds derived from density function calculations1997 | Faculty of Mathematics and Physics
- Electronic structure of Si(110)-(16 x 2) studied by scanning tunneling spectroscopy and density functional theory2011 | Faculty of Mathematics and Physics