On the thermodynamics of homolytic C—H bond cleavage in linear and branched alkanes: Comparison of DFT and composite G4 and G4(MP2) methods
Štellerová, Dagmar, Lukeš, Vladimír
Prediction of selected properties of aflatoxin molecules by the QSAR method
Štecová, Alexandra, Štellerová, Dagmar
Thermodynamic prediction of proton and hydrogen atom abstraction in dehydroascorbic acid and its bicyclic form
Štellerová, Dagmar, Lukeš, Vladimír
On the energetics of radical adduct formation of OH• with phenol analogs and aniline
Štellerová, Dagmar, Lukeš, Vladimír