Acta Chimica Slovaca (ACS) publishes papers on fundamental and applied aspects of chemistry, biochemistry, chemical technology, chemical engineering and process control, biotechnology and food technology. Welcome are also topics which include chemical aspects of materials, physical chemistry and chemical physics, analytical chemistry, macromolecular chemistry and biomedical engineering.

Author: Erik Klein

Thermochemistry of antioxidant action of isoflavones and their deprotonated forms in aqueous solution: hydrogen or electron transfer?           29 — 35
Monika Biela, Andrea Kleinová, Erik Klein Vol. 15, No. 1
DFT and ab initio Calculations of Ionization Potentials, Proton Affinities and Bond Dissociation Enthalpies of Aromatic Compounds           225 — 240
Denisa Cagardová, Martin Michalík, Erik Klein, Vladimír Lukeš, Zoran Marković Vol. 12, No. 2
Thermodynamics of primary antioxidant action of flavonols in polar solvents           108 — 118
Martin Michalík, Ján Rimarčík, Vladimír Lukeš, Erik Klein Vol. 12, No. 1
Acidic and alkaline bimolecular hydrolysis of substituted formanilides. Computational analysis and modelling of substitution effects           35 — 40
Martin Michalík, Peter Škorňa, Vladimír Lukeš, Erik Klein Vol. 10, No. 1
Gallic acid: thermodynamics of the homolytic and heterolytic phenolic O—H bonds splitting-off           114 — 123
Peter Škorňa, Martin Michalík, Erik Klein Vol. 9, No. 2
Theoretical study of the energetics of carboxylic O—H bond cleavage in the para- and meta-substituted benzoic acid derivatives           70 — 77
Peter Škorňa, Adam Vagánek, Peter Poliak, Erik Klein Vol. 8, No. 1
Solvation enthalpies of the electron in polar and non-polar solvents: Theoretical study           31 — 33
Peter Škorňa, Ján Rimarčík, Erik Klein Vol. 7, No. 1
Solvation enthalpies of the proton in polar and non-polar solvents: Theoretical study           60 — 63
Lenka Rottmannová, Peter Škorňa, Ján Rimarčík, Vladimír Lukeš, Erik Klein Vol. 6, No. 1
Theoretical study of 2-phenylpyrrole molecule using various quantum-chemical approaches           21 — 28
Lenka Rottmannová, Kraiwan Punyain, Ján Rimarčík, Vladimír Lukeš, Erik Klein, Anne-Marie Kelterer Vol. 5, No. 1
S—H Bond Dissociation Enthalpies in para- and meta- Substituted Thiophenols: Correlation with Thiophenolic C—S Bond Length           37 — 41
Lenka Rottmannová, Adam Vagánek, Ján Rimarčík, Vladimír Lukeš, Erik Klein Vol. 5, No. 1
DFT/B3LYP Study of the Enthalpies of Homolytic and Heterolytic O–H Bond Dissociation in Sterically Hindered Phenols           55 — 71
Adam Vagánek, Ján Rimarčík, Vladimír Lukeš, Lenka Rottmannová, Erik Klein Vol. 4, No. 2
Applicability of DFTB+ Method for the Calculations of O–H Bond Dissociation Enthalpies of Phenols           12 — 19
Lenka Rottmannová, Ján Rimarčík, Tibor Veselý, Erik Klein, Vladimír Lukeš Vol. 3, No. 2
Full-dimensional Molecular Dynamics Simulation of Electronic Absorption Spectra of Ethyl 1,4-Dihydro-4-Oxoquinoline-3-Carboxylate and its 6-Fluoro and 8-Nitro Derivatives in Dimethyl Sulfoxide           20 — 29
Ján Rimarčík, Kraiwan Punyain, Vladimír Lukeš, Erik Klein, Anne-Marie Kelterer, Viktor Milata, Vlasta Brezová Vol. 3, No. 2
DFT/B3LYP Study of the O–H Bond Dissociation Enthalpies and Proton Affinities of para- and meta-Substituted Phenols in Water and Benzene           37 — 51
Erik Klein, Ján Rimarčík, Vladimír Lukeš Vol. 2, No. 2