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

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