Finite nucleus effects, relativistic effects and picture change error in the IOTC/DKH2 contact spin densities of Cu, Ag, Au atoms
Michal Malček, Lukáš Bučinský, Stanislav Biskupič
Calculations of hyperfine coupling constant of the TMPD molecule
Michal Malček, Lukáš Bučinský, Stanislav Biskupič
Comparison of parametric methods with quantum mechanics based models to estimate Clog P values
Dávid Zajaček, Andrej Hlinčík, Lukas Bucinsky, Matej Uhliar