Vladimı́r Lukeš

Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine

Ján Rimarčík, Vladimı́r Lukeš, Erik Klein et al. · Journal of Molecular Structure THEOCHEM · 2010 · 344 citations

Natural Sciences, Chemistry, Organic Chemistry +10

DFT/B3LYP study of tocopherols and chromans antioxidant action energetics

Erik Klein, Vladimı́r Lukeš, Michal Ilčin · Chemical Physics · 2007 · 176 citations

Natural Sciences, Biochemistry, Chemistry +5

Theoretical Study of Vibrational and Optical Spectra of Methylene-Bridged Oligofluorenes

Vladimı́r Lukeš, Adélia J. A. Aquino, Hans Lischka · The Journal of Physical Chemistry A · 2005 · 148 citations

Natural Sciences, Chemistry, Physics +16

DFT/B3LYP Study of the Substituent Effect on the Reaction Enthalpies of the Individual Steps of Single Electron Transfer−Proton Transfer and Sequential Proton Loss Electron Transfer Mechanisms of Phenols Antioxidant Action

Erik Klein, Vladimı́r Lukeš · The Journal of Physical Chemistry A · 2006 · 130 citations

Natural Sciences, Chemistry, Computational Chemistry +16

System-Dependent Signatures of Electronic and Vibrational Coherences in Electronic Two-Dimensional Spectra

Tomáš Mančal, Niklas Christensson, Vladimı́r Lukeš et al. · The Journal of Physical Chemistry Letters · 2012 · 84 citations

Natural Sciences, Chemistry, Physics +16