- Ab-initio simulation of Doppler broadening in PASPublication without faculty affiliation
- Ab initio theory of spin-transfer torques2007 | Faculty of Mathematics and Physics
- Ab initio calculations of Curie temperatures in GdX compounds2006 | Faculty of Mathematics and Physics
- Ab-initio calculation of electronic structure of partially inverted manganese ferrite2010 | Faculty of Mathematics and Physics
- Tuning ab initio data to scattering length: The a 3_+ state of KRb (Artice no.: 121101)2007 | Faculty of Mathematics and Physics
- Nitramine Anion Fragmentation: A Mass Spectrometric and Ab Initio Study2007 | Publication without faculty affiliation
- Magnetic properties of PrRhIn5--Experimental study and ab initio calculations2008 | Faculty of Mathematics and Physics
- Bulk and epitaxial Co2MnSi systems with antisite disorder: Ab initio calculations2008 | Faculty of Mathematics and Physics
- Ab initio calculations of transport properties of epitaxial (Ga,Mn)As systems2007 | Faculty of Mathematics and Physics
- An interaction of ellipticine derivatives with DNA base pairs (ab initio calculations versus empirical potentials)2003 | Faculty of Science
- Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters (Article No. 244102)2008 | Faculty of Mathematics and Physics
- Interaction between itinerant and localized electrons at finite temperatures in pure hcp Gd: an ab initio DLM study2005 | Publication without faculty affiliation
- Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results2010 | Faculty of Mathematics and Physics
- Thermodynamic, electronic and structural properties of Cu/CeO2 surfaces and interfaces from first-principles DFT+U calculations2010 | Faculty of Mathematics and Physics
- Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid - C12H10ClN3O2008 | Central Library of Charles University
- Ab initio predictions of potassium partitioning between iron and (Mg,Fe)SiO3 perovskite and post-perovskitePublication without faculty affiliation
- Interatomic Coulombic decay in a He dimer: Ab initio potential-energy curves and decay widths2010 | Faculty of Mathematics and Physics
- Rovibrational Dependence of the ab initio Nuclear Quadrupole Coupling Constants in the X3Sigma- State of NH1994 | Faculty of Mathematics and Physics, First Faculty of Medicine
- Nuclear Quadrupole Coupling Constants of BeH, BeH+ and BeH-: ab initio Study of Their Rovibrational Dependence1996 | Faculty of Mathematics and Physics, First Faculty of Medicine
- Step structure of Si(110)-(16×2) and adsorption of H2O2010 | Faculty of Mathematics and Physics
- Ab initio CI Calculation of Nuclear Quadrupole Coupling Constants of Low-Lying Rovibrational Levels in the X1Sigma+ State of CH+1993 | Faculty of Mathematics and Physics, First Faculty of Medicine
- The diatomic dication PO2+2009 | Faculty of Science
- Ab initio investigation of intermolecular interactions in solid benzene (Article No. 092103)2008 | Faculty of Mathematics and Physics
- QSAR-study by use ab-initio calculationsPublication without faculty affiliation
- Ab Initio Calculations of Temperature Dependent Resistivity for Transition Metals2015 | Faculty of Mathematics and Physics
- Position of segregated Al atoms and the work function: Experimental low energy electron diffraction intensity analysis and first-principles calculation of the (3×3)R30° superlattice phase on the (111) surface of a Cu–9 at. %Al alloy2010 | Faculty of Mathematics and Physics
- Towards Rydberg States Using Ab-initio Approach - Lithium as a case study2023 | Faculty of Mathematics and Physics
- Amorphous boron phosphide: An ab initio investigation2021 | Faculty of Science
- The role of ab initio electronic structure calculations in contemporary materials science, Part II2007 | Faculty of Mathematics and Physics
- The role of ab initio electronic structure calculations in contemporary materials science, Part I2007 | Faculty of Mathematics and Physics