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: Vladimír Lukeš

On the energetics of radical adduct formation of OH• with phenol analogs and aniline           12 — 17
Dagmar Štellerová, Vladimír Lukeš Vol. 15, No. 1
Theoretical study of lumichrome, 1-methyl-lumichrome and lumiflavin binding ability with thymine           7 — 13
Denisa Cagardová, Martin Michalík, Vladimír Lukeš Vol. 14, No. 1
Thermodynamic prediction of proton and hydrogen atom abstraction in dehydroascorbic acid and its bicyclic form           32 — 37
Dagmar Štellerová, Vladimír Lukeš Vol. 14, No. 1
Theoretical modeling of optical spectra of N(1) and N(10) substituted lumichrome derivatives           1 — 9
Denisa Cagardová, Jan Truksa, Martin Michalík, Jan Richtár, Jozef Krajčovič, Martin Weiter, Vladimír Lukeš Vol. 13, No. 2
Influence of catecholic ring torsion on hydroxyflavones           49 — 55
Martin Michalík, Monika Biela, Denisa Cagardová, Vladimír Lukeš Vol. 13, 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
On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study           70 — 81
Denisa Cagardová, Vladimír Lukeš, Ján Matúška, Peter Poliak Vol. 12, No. 1
Thermodynamics of primary antioxidant action of flavonols in polar solvents           108 — 118
Martin Michalík, Ján Rimarčík, Vladimír Lukeš, Erik Klein Vol. 12, No. 1
Quantum chemical study of electron structure and charge transport properties of symmetric acenequinones           83 — 93
Denisa Cagardová, Martin Michalík, Peter Poliak, Vladimír Lukeš Vol. 11, No. 2
Local Aromaticity of Linear cata-Benzocoronenes and Acenes: Density Functional Study           31 — 42
Denisa Cagardová, Peter Poliak, Vladimír Lukeš Vol. 11, No. 1
Theoretical study of a series of phenol derivatives: molecular properties vs. cytotoxicity           91 — 95
Martin Michalík, Lívia Sádecká, Vladimír Lukeš Vol. 10, No. 2
Quantum-chemical study of molecular structure and relative stability of trans and cis isomers of model anilide derivatives           144 — 151
Denisa Cagardová, Peter Poliak, Vladimír Lukeš Vol. 10, No. 2
Molecular orbital analysis of selected organic p-type and n-type conducting small molecules           6 — 16
Denisa Cagardová, Vladimír Lukeš Vol. 10, 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
The validation of quantum chemical lipophilicity prediction of alcohols           89 — 94
Martin Michalík, Vladimír Lukeš Vol. 9, No. 2
Theoretical study of substituent effects on the geometry and strain enthalpy in [2,2]paracyclophanes           6 — 13
Martin Michalík, Peter Poliak, Vladimír Lukeš Vol. 9, No. 1
Water liquid-vapor equilibrium by molecular dynamics: Alternative equilibrium pressure estimation           36 — 43
Michal Ilčin, Martin Michalík, Klára Kováčiková, Lenka Káziková, Vladimír Lukeš Vol. 9, No. 1
Theoretical study of the first step of SPLET mechanism: O–H bond cleavage in the mono-substituted benzoic acids           120 — 125
Martin Michalík, Peter Škorňa, Vladimír Lukeš Vol. 8, No. 2
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 1H(Se—H) NMR shifts in meta-substituted Ph—XH (X = O, S, Se)           159 — 163
Vladimir Sladek, Lenka Rottmannová, Peter Škorňa, Michal Ilčin, Vladimír Lukeš Vol. 5, No. 2
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
The role of mid-bond basis set functions on the interaction energy and equilibrium structure of He and Hg vdW dimers; A revised view           46 — 54
Vladimír Sládek, Michal Ilčin, Vladimír Lukeš Vol. 4, No. 2
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