| Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine J Rimarčík, V Lukeš, E Klein, M Ilčin Journal of Molecular Structure: THEOCHEM 952 (1-3), 25-30, 2010 | 340 | 2010 |
| DFT/B3LYP study of tocopherols and chromans antioxidant action energetics E Klein, V Lukeš, M Ilčin Chemical physics 336 (1), 51-57, 2007 | 218 | 2007 |
| 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 … E Klein, V Lukeš The Journal of Physical Chemistry A 110 (44), 12312-12320, 2006 | 133 | 2006 |
| Study of gas-phase O–H bond dissociation enthalpies and ionization potentials of substituted phenols–applicability of ab initio and DFT/B3LYP methods E Klein, V Lukeš Chemical Physics 330 (3), 515-525, 2006 | 100 | 2006 |
| On the radical scavenging activity of isoflavones: thermodynamics of O–H bond cleavage J Lengyel, J Rimarčík, A Vagánek, E Klein Physical Chemistry Chemical Physics 15 (26), 10895-10903, 2013 | 95 | 2013 |
| DFT/B3LYP study of the O–H bond dissociation enthalpies and proton affinities of para-and meta-substituted phenols in water and benzene E Klein, J Rimarcik, V Lukes Acta Chim. Slovaca 2 (2), 37-51, 2009 | 82 | 2009 |
| Reaction enthalpies of OH bonds splitting-off in flavonoids: The role of non-polar and polar solvent A Vagánek, J Rimarčík, K Dropková, J Lengyel, E Klein Computational and Theoretical Chemistry 1050, 31-38, 2014 | 78 | 2014 |
| DFT/B3LYP study of O–H bond dissociation enthalpies of para and meta substituted phenols: Correlation with the phenolic C–O bond length E Klein, V Lukeš Journal of Molecular Structure: THEOCHEM 767 (1-3), 43-50, 2006 | 77 | 2006 |
| Study of N–H, O–H, and S–H bond dissociation enthalpies and ionization potentials of substituted anilines, phenols, and thiophenols E Klein, V Lukeš, Z Cibulková, J Polovková Journal of Molecular Structure: THEOCHEM 758 (2-3), 149-159, 2006 | 77 | 2006 |
| On the energetics of homolytic and heterolytic OH bond cleavage in flavonoids A Vagánek, J Rimarčík, V Lukeš, E Klein Computational and Theoretical Chemistry 991, 192-200, 2012 | 74 | 2012 |
| Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives A Amić, Z Marković, E Klein, JMD Marković, D Milenković Food chemistry 246, 481-489, 2018 | 67 | 2018 |
| Oxidation of sterols: Energetics of C–H and O–H bond cleavage J Lengyel, J Rimarčík, A Vagánek, J Fedor, V Lukeš, E Klein Food chemistry 133 (4), 1435-1440, 2012 | 62 | 2012 |
| Antioxidant action of deprotonated flavonoids: Thermodynamics of sequential proton-loss electron-transfer M Biela, J Rimarčík, E Senajová, A Kleinová, E Klein Phytochemistry 180, 112528, 2020 | 57 | 2020 |
| On the energetics of phenol antioxidants activity E Klein, V Lukes, Z Cibulková Pet. Coal 47, 33-39, 2005 | 54 | 2005 |
| Kinetic study of thermal dehydrochlorination of poly (vinyl chloride) in the presence of oxygen: III. Statistical thermodynamic interpretation of the oxygen catalytic activity L Valko, E Klein, P Kovařı́k, T Bleha, P Šimon European polymer journal 37 (6), 1123-1132, 2001 | 51 | 2001 |
| Density Functional Theory (B3LYP) Study of Substituent Effects on O–H Bond Dissociation Enthalpies of trans-Resveratrol Derivatives and the Role of … E Nazarparvar, M Zahedi, E Klein The Journal of Organic Chemistry 77 (22), 10093-10104, 2012 | 50 | 2012 |
| 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 … M Najafi, KH Mood, M Zahedi, E Klein Computational and Theoretical Chemistry 969 (1-3), 1-12, 2011 | 44 | 2011 |
| On the enthalpies of homolytic and heterolytic S–H bond cleavage in para and meta substituted thiophenols J Rimarčík, V Lukeš, E Klein, L Rottmannová Computational and Theoretical Chemistry 967 (2-3), 273-283, 2011 | 42 | 2011 |
| From phenols to quinones: Thermodynamics of radical scavenging activity of para-substituted phenols M Michalík, P Poliak, V Lukeš, E Klein Phytochemistry 166, 112077, 2019 | 40 | 2019 |
| DFT/B3LYP study of the substituent effects on OH bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment M Najafi, E Nazarparvar, KH Mood, M Zahedi, E Klein Computational and Theoretical Chemistry 965 (1), 114-122, 2011 | 38 | 2011 |
Peter PoliakInstitute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of TechnologyBestätigte E-Mail-Adresse bei stuba.sk
