Theoretical study of 2-phenylpyrrole molecule using various quantum-chemical approaches
Lenka Rottmannová, Kraiwan Punyain, Ján Rimarčík, Vladimír Lukeš, Erik Klein, Anne-Marie Kelterer
S—H Bond Dissociation Enthalpies in para- and meta-Substituted Thiophenols: Correlation with Thiophenolic C—S Bond Length
Lenka Rottmannová, Adam Vagánek, Ján Rimarčík, Vladimír Lukeš, Erik Klein
Solvation enthalpies of the proton in polar and non-polar solvents: Theoretical study
Lenka Rottmannová, Peter Škorňa, Ján Rimarčík, Vladimír Lukeš, Erik Klein
Thermodynamics of primary antioxidant action of flavonols in polar solvents
Martin Michalík, Ján Rimarčík, Vladimír Lukeš, Erik Klein
Solvation enthalpies of the electron in polar and non-polar solvents: Theoretical study
Peter Škorňa, Ján Rimarčík, Erik Klein