Stanislav Komorovský

A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac–Kohn–Sham equation

Stanislav Komorovský, Michal Repiský, Olga L. Malkina et al. · The Journal of Chemical Physics · 2008 · 237 citations

Natural Sciences, Chemistry, Physics +14

Fully relativistic calculations of NMR shielding tensors using restricted magnetically balanced basis and gauge including atomic orbitals

Stanislav Komorovský, Michal Repiský, Olga L. Malkina et al. · The Journal of Chemical Physics · 2010 · 164 citations

Natural Sciences, Chemistry, Physics +17

ReSpect: Relativistic spectroscopy DFT program package

Michal Repiský, Stanislav Komorovský, Marius Kadek et al. · The Journal of Chemical Physics · 2020 · 143 citations · Full text

Natural Sciences, Chemistry, Physics +17

Relativistic Four-Component DFT Calculations of ¹H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the Buckingham–Stephens Model

Peter Hrobárik, Veronika Hrobáriková, Florian Meier et al. · The Journal of Physical Chemistry A · 2011 · 129 citations

Natural Sciences, Chemistry, Physics +16

Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches

Jan Novotný, Michal Straka, Michal Repiský et al. · Physical Chemistry Chemical Physics · 2015 · 101 citations · Full text

Natural Sciences, Chemistry, Physics +15