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Klein, Erik, Lukeš, Vladimír, Ilčin, Michal (2007) DFT/B3LYP study of tocopherols and chromans antioxidant action energetics. Chemical Physics, 336. 51-57 doi:10.1016/j.chemphys.2007.05.007

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Reference TypeJournal (article/letter/editorial)
TitleDFT/B3LYP study of tocopherols and chromans antioxidant action energetics
JournalChemical Physics
AuthorsKlein, ErikAuthor
Lukeš, VladimírAuthor
Ilčin, MichalAuthor
Year2007 (July)Volume336
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.05.007Search in ResearchGate
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Mindat Ref. ID5961156Long-form Identifiermindat:1:5:5961156:1
GUID0
Full ReferenceKlein, Erik, Lukeš, Vladimír, Ilčin, Michal (2007) DFT/B3LYP study of tocopherols and chromans antioxidant action energetics. Chemical Physics, 336. 51-57 doi:10.1016/j.chemphys.2007.05.007
Plain TextKlein, Erik, Lukeš, Vladimír, Ilčin, Michal (2007) DFT/B3LYP study of tocopherols and chromans antioxidant action energetics. Chemical Physics, 336. 51-57 doi:10.1016/j.chemphys.2007.05.007
In(n.d.) Chemical Physics Vol. 336. Elsevier BV

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Klein, Erik, Lukeš, Vladimír (2006) Study of gas-phase O–H bond dissociation enthalpies and ionization potentials of substituted phenols – Applicability of ab initio and DFT/B3LYP methods. Chemical Physics, 330. 515-525 doi:10.1016/j.chemphys.2006.09.026
Vagánek, Adam, Rimarčík, Ján, Ilčin, Michal, Škorňa, Peter, Lukeš, Vladimír, Klein, Erik (2013) Homolytic N–H bond cleavage in anilines: Energetics and substituent effect. Computational and Theoretical Chemistry, 1014. 60-67 doi:10.1016/j.comptc.2013.03.027
Ilčin, Michal, Lukeš, Vladimír, Laurinc, Viliam, Biskupič, Stanislav (2008) Ab initio study of Hg(1S0)⋯ van der Waals complex. Chemical Physics, 349. 32-36 doi:10.1016/j.chemphys.2008.01.021
Klein, Erik, Lukeš, Vladimír (2007) DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of sequential proton loss electron transfer mechanism of phenols antioxidant action: Correlation with phenolic CO bond length. Journal of Molecular Structure: THEOCHEM, 805. 153-160 doi:10.1016/j.theochem.2006.11.002
Rottmannová, Lenka, Lukeš, Vladimír, Ilčin, Michal, Fodran, Peter, Herich, Peter, Kožíšek, Jozef, Liptaj, Tibor, Klein, Erik (2013) Quantum chemical and experimental study of 1,2,4-trihydroxy-para-menthane. Journal of Molecular Structure, 1049. 494-501 doi:10.1016/j.molstruc.2013.07.005
Klein, Erik, Lukeš, Vladimír (2006) 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. The Journal of Physical Chemistry A, 110 (44). 12312-12320 doi:10.1021/jp063468i
Lukeš, Vladimír, Ilčin, Michal, Kollár, Jozef, Hrdlovič, Pavol, Chmela, Štefan (2010) On the geometrical structure and spectral properties of pyrene monomer and sterically constrained intramolecular pyrene dimers. Chemical Physics, 377. 123-131 doi:10.1016/j.chemphys.2010.09.002
Rimarčík, Ján, Lukeš, Vladimír, Klein, Erik, Ilčin, Michal (2010) Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine. Journal of Molecular Structure: THEOCHEM, 952. 25-30 doi:10.1016/j.theochem.2010.04.002
Rimarčík, Ján, Lukeš, Vladimír, Klein, Erik, Griesser, Markus, Kelterer, Anne-Marie (2008) Theoretical study of structure and electronic properties of cyano-substituted pyrroles. Chemical Physics, 353. 177-184 doi:10.1016/j.chemphys.2008.08.010
Klein, Erik, Lukeš, Vladimír (2006) DFT/B3LYP study of O–H bond dissociation enthalpies of para and meta substituted phenols: Correlation with the phenolic C–O bond length. Journal of Molecular Structure: THEOCHEM, 767. 43-50 doi:10.1016/j.theochem.2006.04.017
Ilčin, Michal, Lukeš, Vladimír, Laurinc, Viliam, Biskupič, Stanislav (2008) Theoretical Study of the vdW Complex Cd···N2. Collection of Czechoslovak Chemical Communications, 73. 1357-1371 doi:10.1135/cccc20081357
 
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