- Singles correlation energy contributions in solids2015 | Faculty of Mathematics and Physics
- MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration2013 | Faculty of Science
- Proposed Parameter-Free Model for Interpreting the Measured Positron Annihilation Spectra of Materials Using a Generalized Gradient Approximation2015 | Faculty of Mathematics and Physics
- Al(III)-NTA-fluoride: A simple model system for Al-F binding with interesting thermodynamics2020 | Faculty of Science, Central Library of Charles University
- Stabilities of fullerenes: Illustration on C-802008 | Faculty of Science
- Effect of electron localization in theoretical design of Ni-Mn-Ga based magnetic shape memory alloys2021 | Faculty of Mathematics and Physics
- Gas-phase synthesis of the rare-gas carbene cation ArCH2+ using doubly ionised bromomethane as a superelectrophilic reagent2008 | Faculty of Science
- The [2,5,12-C3B8H15](-) anion, the first representative of the eleven-vertex hypho family of tricarbaboranes2007 | Faculty of Science
- Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins2019 | Faculty of Pharmacy in Hradec Králové
- Aurophilic Interactions in [(L)AuCl]...[(L')AuCl] Dimers: Calibration by Experiment and Theory2018 | Faculty of Science, Central Library of Charles University
- Generation of the organo-rare gas dications HCCRg(2+) (Rg = Ar and Kr) in the reaction of acetylene dications with rare gases2008 | Faculty of Science
- Probing the Formation, Structure, and Reactivity of Zn(II), Ag(I), and Fe(II) Complexes with 2,2':6',2''-Terpyridine on Ag Nanoparticles Surfaces by Time Evolution of SERS Spectra, Factor Analysis, and DFT Calculations2018 | Faculty of Science, Faculty of Mathematics and Physics
- Resonance Raman Excitation Profiles of Fe(II)-Terpyridine Complexes: Electronic Effects of Ligand Modifications2021 | Faculty of Science, Central Library of Charles University
- Chasing the Evasive Fe═O Stretch and the Spin State of the Iron(IV)-Oxo Complexes by Photodissociation Spectroscopy2017 | Faculty of Science, Central Library of Charles University
- Computations of the energetics of C60F36 isomers2006 | Faculty of Science
- Excited electronic states and relative stabilities of C-802006 | Faculty of Science
- The phenoxy/phenol/copper cation: A minimalistic model of bonding relations in active centers of mononuclear copper enzymes2008 | Faculty of Science
- NATURAL ORBITALS FOR THE EQUATION OF MOTION PHONON METHOD2020 | Faculty of Mathematics and Physics
- Calculation of LUMO-HOMO Gap in Sodium Clusters in the GW Approximation2021 | Faculty of Mathematics and Physics
- Lowest autodetachment state of the water anion2016 | Faculty of Mathematics and Physics
- Lattice energies of molecular solids from the random phase approximation with singles corrections2016 | Faculty of Mathematics and Physics
- Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method2019 | Faculty of Science, Central Library of Charles University
- Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method2018 | Faculty of Science, Central Library of Charles University
- Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)2020 | Faculty of Science, Faculty of Mathematics and Physics