Collect. Czech. Chem. Commun. 1987, 52, 547-554
https://doi.org/10.1135/cccc19870547

MO analysis of chemically interacting systems. Reaction of hydrogen abstraction by free radicals

Robert Ponec, Štěpán Krupička and Milan Hájek

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol

Individual author index pages


Other CCCC articles of these authors

  • Robert Ponec*, Stijn Fias, Sofie Van Damme, Patrick Bultinck, Ivan Gutman and Sonja Stanković
    The close relation between cyclic delocalization, energy effects of cycles and aromaticity
    2009, Vol. 74, Issue 1, pp. 147–166 [Abstract]
  • Robert Ponec
    Molecular Basis of LFER. Simple Model for the Estimation of Brønsted Exponent in Acid-Base Catalysis
    2004, Vol. 69, Issue 12, pp. 2121–2133 [Abstract]
  • Robert Ponec
    Electron Reorganization in Chemical Reactions. Bond Order Conservation vs Multicenter Bonding in the Course of Chemical Reactions
    1997, Vol. 62, Issue 12, pp. 1821–1831 [Abstract]
  • Milan Hájek
    Microwave Activation of Homogeneous and Heterogeneous Catalytic Reactions
    1997, Vol. 62, Issue 2, pp. 347–354 [Abstract]
  • Milan Hájek, Martin Kotora, František Adámek, Reg Davis, Cecile Fischer and Warren A. C. Joshu
    Catalyst Effects on the Stereoselectivity of Addition of Tetrachloromethane to 1,3-Cyclohexadiene
    1996, Vol. 61, Issue 5, pp. 774–777 [Abstract]
  • Robert Ponec and Filip Uhlík
    Electron Pairing and Chemical Bonds. Physical Meaning of Effective Pairs
    1994, Vol. 59, Issue 12, pp. 2567–2578 [Abstract]
  • Robert Ponec
    Electron Pairing and Chemical Bonds
    1994, Vol. 59, Issue 3, pp. 505–516 [Abstract]
  • Robert Ponec and Martin Strnad
    The Least Motion Principle, Concertedness and the Mechanisms of Pericyclic Reactions. A Similarity Approach
    1994, Vol. 59, Issue 1, pp. 75–88 [Abstract]
  • Robert Ponec and Martin Strnad
    Topological Aspects of Chemical Reactivity. Electron Correlation in the Course of Chemical Reactions
    1993, Vol. 58, Issue 8, pp. 1751–1760 [Abstract]
  • Robert Ponec
    Similarity Approach to Chemical Reactivity. Substituent Effect in Pericyclic Reactions
    1993, Vol. 58, Issue 1, pp. 11–23 [Abstract]
  • Martin Kotora, Milan Hájek and Christian Döbler
    Addition of Tetrachloromethane to Styrene Catalyzed by Copper-Chiral Amine Complexes
    1992, Vol. 57, Issue 12, pp. 2622–2628 [Abstract]
  • František Adámek, Milan Hájek and Zbyněk Janoušek
    Relative Reactivities of 1,1,1-Trichloroethane and 1,1,1-Trichlorotrifluoroethane in Competitive Addition Reactions
    1992, Vol. 57, Issue 6, pp. 1291–1298 [Abstract]
  • Robert Ponec and Martin Strnad
    Chemical Bonds and Their Transformations in the Course of Chemical Reactions
    1992, Vol. 57, Issue 6, pp. 1177–1185 [Abstract]
  • Martin Kotora and Milan Hájek
    Addition of Tetrachloromethane to 1,5-Hexadiene
    1992, Vol. 57, Issue 2, pp. 393–396 [Abstract]
  • Martin Strnad and Robert Ponec
    Geodesic Formulation of the Least Motion Principle in Chemical Reactivity
    1992, Vol. 57, Issue 2, pp. 232–240 [Abstract]
  • Milan Hájek, Přemysl Šilhavý and Božena Špirková
    Reactivity of substituted styrenes in the catalytic addition reaction with the trichloromethyl radical
    1990, Vol. 55, Issue 12, pp. 2949–2955 [Abstract]
  • Robert Ponec and Martin Strnad
    Similarity approach to chemical reactivity. Specificity of multibond processes
    1990, Vol. 55, Issue 11, pp. 2583–2589 [Abstract]
  • Robert Ponec and Martin Strnad
    Topological aspects of chemical reactivity. On physical meaning of the similarity index
    1990, Vol. 55, Issue 10, pp. 2363–2367 [Abstract]
  • Robert Ponec and Martin Strnad
    A novel approach to the characterization of molecular similarity. The 2nd order similarity index
    1990, Vol. 55, Issue 4, pp. 896–902 [Abstract]
  • Robert Ponec and Martin Strnad
    Topological aspects of chemical reactivity. Relation between the overlap determinant method and the least motion principle
    1990, Vol. 55, Issue 3, pp. 622–629 [Abstract]
  • Robert Ponec and Milan Hájek
    Influence of the solvent on the transmission of polar effects in free radical reactions. A theoretical study
    1988, Vol. 53, Issue 11, pp. 2714–2721 [Abstract]
  • Milan Hájek, Alena Horská, Petr Trška, Luděk Vodička, Douglas J. Raber, Brent L. Podlogar and Joop A. Peters
    Halogen substituted adamantanones. Structural studies with lanthanide shift reagents
    1988, Vol. 53, Issue 1, pp. 97–109 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Valency changes in the course of chemical reactions
    1987, Vol. 52, Issue 11, pp. 2603–2612 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. On the possible use of similarity index in characterizing the transition state structure in concerted pericyclic reactions
    1987, Vol. 52, Issue 6, pp. 1375–1385 [Abstract]
  • Zdeněk Vít and Milan Hájek
    Addition of esters of chloroacetic acids to 1,3-butadiene catalysed by copper complexes
    1987, Vol. 52, Issue 5, pp. 1280–1284 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. On the similarity of molecular structures
    1987, Vol. 52, Issue 3, pp. 555–562 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Catalytic reactions
    1986, Vol. 51, Issue 9, pp. 1843–1855 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Correlation diagrams and overlap determinant method
    1986, Vol. 51, Issue 9, pp. 1834–1842 [Abstract]
  • Petr Duchek, Robert Ponec and Václav Chvalovský
    Influence of solvents on electrochemical reduction potentials of chlorosilanes
    1986, Vol. 51, Issue 5, pp. 967–972 [Abstract]
  • Vladimír Morávek and Robert Ponec
    Possible role of nonclassical ions in acid catalysed dehydration of ethanol
    1986, Vol. 51, Issue 4, pp. 842–846 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. A simple method for estimating the activation energies in pericyclic reactions
    1986, Vol. 51, Issue 1, pp. 175–187 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Simple alternative method for determining parity of Kékule structures
    1985, Vol. 50, Issue 12, pp. 2639–2646 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Reorganisation of electron density in allowed and forbidden reactions
    1985, Vol. 50, Issue 5, pp. 1121–1132 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Theoretical justification of overlap determinant method
    1985, Vol. 50, Issue 3, pp. 577–580 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity. Photochemical and free radical reactions
    1985, Vol. 50, Issue 3, pp. 559–576 [Abstract]
  • Jan Tříska, Luděk Vodička, Eugenijus P. Butkus and Milan Hájek
    Beckmann rearrangement of adamantanone oxime as a route to ditopic and tritopic secondarily substituted adamantane derivatives
    1984, Vol. 49, Issue 8, pp. 1774–1779 [Abstract]
  • Robert Ponec
    Topological aspects of chemical reactivity
    1984, Vol. 49, Issue 2, pp. 455–473 [Abstract]
  • Robert Ponec, Milan Hájek and Jaroslav Málek
    PMO treatment of structure-reactivity relationships. Polar effects in the free radical addition reactions
    1983, Vol. 48, Issue 9, pp. 2469–2472 [Abstract]
  • Milan Hájek and Přemysl Šilhavý
    Redox chain addition of chloroform to 1-alkenes catalysed by copper complexes
    1983, Vol. 48, Issue 6, pp. 1710–1717 [Abstract]
  • Robert Ponec, Jan Kučera and Václav Chvalovský
    Basicity of carbonfunctional organosilicon compounds and mechanism of the α effect
    1983, Vol. 48, Issue 6, pp. 1602–1607 [Abstract]
  • Robert Ponec
    On separation of inductive and resonance effect
    1983, Vol. 48, Issue 6, pp. 1564–1570 [Abstract]
  • Zdeněk Kafka, Luděk Vodička and Milan Hájek
    Oxidation of triamantane by sulphuric acid
    1983, Vol. 48, Issue 4, pp. 1074–1076 [Abstract]
  • Robert Ponec
    Interpretation of a molecular wave function in terms of individual structures
    1983, Vol. 48, Issue 1, pp. 34–40 [Abstract]
  • Robert Ponec
    On definition of electronegativity within the framework of MO methods
    1982, Vol. 47, Issue 5, pp. 1479–1485 [Abstract]
  • Robert Ponec and Jaroslav Málek
    The reliability of MINDO method for characterizing the transition state structures in radical addition reactions
    1982, Vol. 47, Issue 3, pp. 802–808 [Abstract]
  • Seán Cawley, Jan Schraml, Petr Svoboda, Robert Ponec and Václav Chvalovský
    1H NMR spectra of some chloro-alkenes
    1981, Vol. 46, Issue 11, pp. 2924–2934 [Abstract]
  • Robert Ponec, Luboš Dejmek and Václav Chvalovský
    Hyperconjugation in organosilicon chemistry
    1981, Vol. 46, Issue 11, pp. 2663–2668 [Abstract]
  • Robert Ponec, Milan Hájek and Jaroslav Málek
    PMO-treatment of the structure-reactivity relationships in free radical addition reactions of cycloalkenes
    1981, Vol. 46, Issue 10, pp. 2524–2530 [Abstract]
  • Gustav Šebor, Salvador Reynoso, Milan Hájek, Otto Weisser and Jiří Mostecký
    Study of hydrogenation of petroleum asphaltenes
    1981, Vol. 46, Issue 2, pp. 409–418 [Abstract]
  • Luboš Dejmek, Robert Ponec and Václav Chvalovský
    Protonation-induced variability of electronic effects of silyl and germyl substituents in α-carbofunctional derivatives
    1980, Vol. 45, Issue 12, pp. 3518–3524 [Abstract]
  • Luboš Dejmek, Robert Ponec and Václav Chvalovský
    Fourier component analysis of internal rotation in β-carbofunctional derivatives of group IVb elements
    1980, Vol. 45, Issue 12, pp. 3510–3517 [Abstract]
  • Milan Hájek, Přemysl Šilhavý and Jaroslav Málek
    Catalytic activity of copper oxides and chlorides in the redox chain addition of tetrachloromethane to styrene
    1980, Vol. 45, Issue 12, pp. 3502–3509 [Abstract]
  • Milan Hájek, Přemysl Šilhavý and Jaroslav Málek
    Metal-oxide induced redox chain addition of tetrachloromethane to a carbon-carbon double bond
    1980, Vol. 45, Issue 12, pp. 3488–3501 [Abstract]
  • Robert Ponec, Luboš Dejmek and Václav Chvalovský
    Fourier components analysis of internal rotation in carbofunctional derivatives of group iv b elements
    1980, Vol. 45, Issue 11, pp. 2895–2902 [Abstract]
  • Luděk Vodička, Jan Tříska and Milan Hájek
    Synthesis, separation, and identification of 4-bromoadamantan-2-one stereoisomers
    1980, Vol. 45, Issue 10, pp. 2670–2674 [Abstract]
  • Robert Ponec
    Perturbation theory of substituent effect. Quantum chemical study of the positive bridging effect
    1980, Vol. 45, Issue 7, pp. 2054–2062 [Abstract]
  • Milan Hájek and Jaroslav Málek
    Reactivity of cycloalkenes in the radical addition reaction with ethyl cyanoacetate
    1980, Vol. 45, Issue 7, pp. 1940–1949 [Abstract]
  • Robert Ponec
    Perturbation theory of substituent effect. Importance of the field effect in transmission of the substituent effect
    1980, Vol. 45, Issue 6, pp. 1655–1661 [Abstract]
  • Robert Ponec
    Perturbation theory of substituent effect. Quantum chemical estimation of the Hammet ρ constants
    1980, Vol. 45, Issue 6, pp. 1646–1654 [Abstract]
  • Robert Ponec and Jaroslav Málek
    Mechanistic aspects of chain initiation in radical addition reactions induced by metal ions
    1980, Vol. 45, Issue 1, pp. 231–237 [Abstract]
  • Milan Hájek and Jaroslav Málek
    Catalytic activity of cupric oxide in addition reactions of alkyl cyanoacetates with 1-alkenes
    1979, Vol. 44, Issue 12, pp. 3695–3704 [Abstract]
  • Milan Hájek, Přemysl Šilhavý and Jaroslav Málek
    Radical cyclisation reactions of ketones with alkenes initiated by silver(II) and lead(IV) oxides
    1979, Vol. 44, Issue 8, pp. 2393–2400 [Abstract]
  • Milan Hájek, Božena Špirková and Jaroslav Málek
    Radical addition of lactones to 1-alkenes initiated by cupric oxide
    1979, Vol. 44, Issue 5, pp. 1608–1612 [Abstract]
  • František Skácel, Milan Hájek, František Liška, Petr Trška and Zbyněk Ksandr
    Application of shift reagents in 1H and 19F NMR spectroscopy. Interactions with chlorofluoroalkanols C3, C4
    1979, Vol. 44, Issue 5, pp. 1440–1447 [Abstract]
  • Robert Ponec, Luboš Dejmek and Václav Chvalovský
    Fourier component analysis of intramolecular interactions in α-carbofunctional silanes
    1979, Vol. 44, Issue 5, pp. 1434–1439 [Abstract]
  • Milan Hájek, Gustav Šebor, Ivo Lang, Zenon Starčuk, Otto Weisser and Luděk Vodička
    Characterization of heavy crude oil fractions by means of the 13C NMR technique
    1979, Vol. 44, Issue 4, pp. 1160–1166 [Abstract]
  • Jiří Karhan, Milan Hájek, Zbyněk Ksandr and Luděk Vodička
    Application of the relaxation reagent Gd(FOD)3 (1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionate)gadolinium(III) in 1H NMR spectroscopy of adamantoid compounds
    1979, Vol. 44, Issue 2, pp. 533–541 [Abstract]
  • Jaroslava Podehradská, Milan Hájek and Slavoj Hála
    1H-NMR spectra of high-boiling adamantylaromatic compounds
    1978, Vol. 43, Issue 1, pp. 250–256 [Abstract]