- Optical spectroscopy and system-bath interactions in molecular aggregates with full configuration interaction Frenkel exciton model2016 | Faculty of Mathematics and Physics
- Electron Affinities of BN, NO and NF: Coupled Cluster and Multireference Configuration Interaction Calculations2005 | Faculty of Science
- The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies2018 | Faculty of Mathematics and Physics
- Quantum computing applied to calculations of molecular energies: CH2 benchmark2010 | Faculty of Science
- A theoretical study of the BO2+ dication2009 | Faculty of Science
- Molecular ion LiHe+: ab initio study2012 | Faculty of Mathematics and Physics
- The ZnO2+ dication in the gas phase2013 | Faculty of Science
- A CASSCF/icMRCI study of the electric field gradient in low-lying electronic states of N2+/N22003 | Faculty of Science
- On the behavior of low-lying 2sigma+ electronic states of NO2003 | Faculty of Science
- Interatomic Coulombic Decay Mediated by Ultrafast Superexchange Energy Transfer2017 | Faculty of Mathematics and Physics
- The rovibrational dependence of the 14N nuclear quadrupole coupling constants in the X2sigma+ and B2sigma+ states of CN from the multireference CI approach2003 | Faculty of Science
- CH Stretching Region: Computational Modeling of Vibrational Optical Activity2013 | Faculty of Mathematics and Physics
- Perturbative and nonperturbative photoionization of H-2 and H2O using the molecular R-matrix-with-time method2020 | 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
- Resonant collisions of electrons with O-2 via the lowest-lying (2)Pi(g) state of O-2(-)2021 | Faculty of Mathematics and Physics
- A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene2017 | Faculty of Science
- Selective dissociation in dication-molecule reactions2010 | Faculty of Science
- Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method2018 | Faculty of Science, Central Library of Charles University
- Estimation of electron absorption spectra and lifetime of the two lowest singlet excited states of pyrimidine nucleobases and their derivatives2022 | Faculty of Mathematics and Physics
- Role of electronic correlations in photoionization of NO2 in the vicinity of the 2A1/2B2 conical intersection2017 | Faculty of Mathematics and Physics
- Core repulsion effects in alkali trimers2009 | Faculty of Mathematics and Physics
- On the theoretical description of nuclear quadrupole coupling in P states of small molecules2013 | Faculty of Science
- Tetrapeptide unfolding dynamics followed by core-level spectroscopy: a first-principles approach2015 | Faculty of Mathematics and Physics
- Theoretical study of electric field gradients at nitrogen nuclei in HNO, CH3NO and C2H3NO2010 | Faculty of Science
- Toward more accurate adiabatic connection approach for multireference wavefunctions2023 | Faculty of Mathematics and Physics
- Cytoplasmic localization of Mdm2 in cells expressing mutated NPM is mediated by p532023 | Faculty of Mathematics and Physics
- Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy2018 | Faculty of Science, Central Library of Charles University
- Formation of CO+ by radiative association2019 | Faculty of Mathematics and Physics
- THE INVESTIGATION OF SECOND-ORDER NONLINEAR OPTICAL PROPERTIES OF P-NITROPHENYLAZOANILINE: SECOND HARMONIC GENERATION AND AB INITIO COMPUTATIONS2012 | Faculty of Science, Faculty of Mathematics and Physics
- Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics2019 | Faculty of Science, Central Library of Charles University
