Collect. Czech. Chem. Commun.
1983, 48, 2469-2472
https://doi.org/10.1135/cccc19832469
PMO treatment of structure-reactivity relationships. Polar effects in the free radical addition reactions
Robert Ponec, Milan Hájek and Jaroslav Málek
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, Štěpán Krupička and Milan Hájek
MO analysis of chemically interacting systems. Reaction of hydrogen abstraction by free radicals
1987, Vol. 52, Issue 3, pp. 547–554 [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] - 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] - Zdeněk Vít, Lubomír Nondek and Jaroslav Málek
Liquid-phase aldol condensation of cyclohexanone on aluminium and iron oxides
1982, Vol. 47, Issue 8, pp. 2235–2245 [Abstract] - Robert Ponec
On definition of electronegativity within the framework of MO methods
1982, Vol. 47, Issue 5, pp. 1479–1485 [Abstract] - Lubomír Nondek, Dana Žďárová, Jaroslav Málek and Václav Chvalovský
Conversion of 2,3:4,6-di-O-isopropylidene-L-sorbose to 2,3:4,6-di-O-isopropylidene-2-keto-L-gulonic acid by catalytic oxidation with oxygen on platinum
1982, Vol. 47, Issue 4, pp. 1121–1129 [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] - Lubomír Nondek and Jaroslav Málek
Kinetics of condensation of benzaldehyde and its derivatives with acetone and methyl ethyl ketone catalysed by aluminium oxide
1980, Vol. 45, Issue 6, pp. 1812–1819 [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] - Lubomír Nondek and Jaroslav Málek
Aldol condensation of butyraldehyde in the liquid phase catalysed by aluminium, iron and chromium sesquioxides
1979, Vol. 44, Issue 8, pp. 2384–2392 [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] - Lubomír Nondek and Jaroslav Málek
A general treatment for the kinetics of two consecutive irreversible first-order reactions. Determination of rate constants for the tin(II)-ion catalysed esterification of alkali metal carboxybenzenesulphonates with ethylene glycol
1978, Vol. 43, Issue 7, pp. 1907–1916 [Abstract] - Jiří Vejrosta, Eva Zelená and Jaroslav Málek
Kinetics of esterification of sodium 3,5-dicarboxybenzenesulphonate with ethylene glycol catalysed by titanium(IV) and tin(II) ions
1978, Vol. 43, Issue 2, pp. 424–433 [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]
