Collect. Czech. Chem. Commun. 1977, 42, 2758-2766
https://doi.org/10.1135/cccc19772758

CNDO/S and INDO/S calculations on small aluminium compounds

P. Čársky and J. Málek

Individual author index pages


Other CCCC articles of these authors

  • Hanspeter Huber, J. Pancíř and P. Čársky
    Effective search for minima on the ab initio SCF energy hypersurfaces
    1977, Vol. 42, Issue 9, pp. 2767–2771 [Abstract]
  • M. Hájek and J. Málek
    Radical addition of nitriles to 1-alkenes initiated by metal oxides
    1977, Vol. 42, Issue 8, pp. 2388–2393 [Abstract]
  • P. Čársky, I. Kozák, V. Kellö and M. Urban
    Gaussian basis set for sodium compatible with the Dunning's basis sets for the first row atoms
    1977, Vol. 42, Issue 5, pp. 1460–1465 [Abstract]
  • P. Šilhavý, J. Vejrosta and J. Málek
    Kinetics of formation of β-hydroxyethylpyridinium benzoate in the reaction of pyridine with ethylene oxide and benzoic acid in protic medium
    1977, Vol. 42, Issue 2, pp. 495–507 [Abstract]
  • O. M. O. Habib and J. Málek
    Linear free energy relationships in a metal ion-catalysed esterification of substituted benzoic acids with ethylene glycol
    1976, Vol. 41, Issue 10, pp. 3077–3084 [Abstract]
  • R. Ponec and J. Málek
    SCF-LCI theory of substituent effect
    1976, Vol. 41, Issue 10, pp. 3027–3034 [Abstract]
  • O. M. O. Habib and J. Málek
    The activity of metal ions in catalytic esterification of aromatic carboxylic acids with aliphatic glycols
    1976, Vol. 41, Issue 9, pp. 2724–2736 [Abstract]
  • O. M. O. Habib and J. Málek
    The effect of the structure of aromatic amides and aliphatic glycols on the rate of a metal ion-catalysed glycolytic reaction
    1976, Vol. 41, Issue 9, pp. 2543–2555 [Abstract]
  • M. Hájek and J. Málek
    Silver(I) oxide and silver(II) oxide initiated alkylation of cycloalkanones with alkenes
    1976, Vol. 41, Issue 3, pp. 746–757 [Abstract]
  • J. Málek and E. Zelená
    Kinetics of the glycolysis of aromatic carboxamides catalysed in solution by metal ions
    1976, Vol. 41, Issue 2, pp. 395–407 [Abstract]
  • M. Černý and J. Málek
    Methylation and ethylation of the aryl-activated benzylic group and formation of gem-diarylcyclopropanes by means of bis(2-alkoxyethoxy)aluminium hydrides
    1976, Vol. 41, Issue 1, pp. 119–130 [Abstract]
  • J. Málek and P. Šilhavý
    The catalytic activity of tertiary phosphines, arsines, stibines, and quarternary phosphonium salts in reaction of terephthalic acid with ethylene oxide
    1976, Vol. 41, Issue 1, pp. 101–109 [Abstract]
  • J. Málek and P. Šilhavý
    Kinetics and mechanism of the reaction of aromatic carboxylic acids with ethylene oxide in protic and aprotic dipolar solvents in the presence of tertiary amines
    1976, Vol. 41, Issue 1, pp. 84–100 [Abstract]
  • M. Hájek, P. Šilhavý and J. Málek
    Hydrolysis of aromatic nitriles by alkaline hydrogen peroxide
    1974, Vol. 39, Issue 9, pp. 2667–2672 [Abstract]
  • J. Málek, M. Černý and R. Řeřicha
    Formation of anionic intermediates in the reduction and alkylation of anthracene and its derivatives by sodium bis(2-methoxyethoxy)aluminum hydride
    1974, Vol. 39, Issue 9, pp. 2656–2666 [Abstract]
  • J. Kuhn, P. Čársky and R. Zahradník
    Semiempirical MO calculations on the electronic spectra of conjugated hydrocarbon radicals having degenerate ground states
    1974, Vol. 39, Issue 8, pp. 2175–2199 [Abstract]
  • M. Krumpolc, V. Bažant and J. Málek
    Formation of linear oligomers in the initial phase of polyesterification of terephthalic acid
    1974, Vol. 39, Issue 5, pp. 1158–1168 [Abstract]
  • M. Černý and J. Málek
    Simultaneous hydrogenolysis and alkylation of aromatic ketones by sodium bis(2-methoxyethoxy)aluminum hydride at elevated temperatures
    1974, Vol. 39, Issue 3, pp. 842–853 [Abstract]
  • R. Zahradník, Z. Slanina and P. Čársky
    Dimerization of small radicals
    1974, Vol. 39, Issue 1, pp. 63–70 [Abstract]
  • P. Čársky, M. Macháček and R. Zahradník
    Open shell CNDO treatments on small inorganic radicals
    1973, Vol. 38, Issue 10, pp. 3067–3073 [Abstract]
  • R. Zahradník, P. Čársky and Z. Slanina
    Conjugated radicals. XVIII. Photoelectron spectroscopy as a source of electronic spectral data for radical cations
    1973, Vol. 38, Issue 7, pp. 1886–1898 [Abstract]
  • R. Zahradník and P. Čársky
    CNDO treatments on electronic spectra of small molecules
    1973, Vol. 38, Issue 7, pp. 1876–1885 [Abstract]
  • I. Nykl, V. Rejholec, P. Hobza, P. Čársky, R. Zahradník and K. Hafner
    Conjugated radicals. XVII. Electronic spectra of radical ions derived from pentaleno[6,6a,1,2-def]heptalene and 2-phenylcyclopent[cd]azulene and semiempirical open shell PPP-like calculations
    1973, Vol. 38, Issue 5, pp. 1463–1465 [Abstract]
  • I. Nykl, A. Fojtík, P. Hobza, P. Čársky, R. Zahradník and T. Shida
    Electronic spectra of azulene mononegative and monopositive ions and semiempirical open shell PPP-like calculations
    1973, Vol. 38, Issue 5, pp. 1459–1462 [Abstract]
  • P. Hobza, P. Čársky and R. Zahradník
    Conjugated radicals. XVI. Electronic spectra of ortho-semiquinones and remark on the applicability of the LCI-CNDO method to quinones and semiquinones
    1973, Vol. 38, Issue 3, pp. 641–644 [Abstract]
  • P. Čársky, A. Fojtík and R. Zahradník
    Conjugated radicals. XV. Correlation of pKa values of protonated substituted nitrobenzene radical anions with extended Hückel MO data
    1972, Vol. 37, Issue 8, pp. 2515–2520 [Abstract]
  • R. Zahradník, V. Rejholec, P. Hobza, P. Čársky and K. Hafner
    Conjugated radicals. XIV. Electronic spectra and semiempirical calculations on radical anions of acenaphthylene, fluoranthene and aceheptylene
    1972, Vol. 37, Issue 6, pp. 1983–1989 [Abstract]
  • V. Rejholec, J. Pancíř, P. Čársky and R. Zahradník
    Electronic spectra and semiempirical calculations on dinegative ions of acenaphthylene, fluoranthene and aceheptylene
    1972, Vol. 37, Issue 6, pp. 1978–1982 [Abstract]
  • P. Čársky and R. Zahradník
    Conjugated radicals. XIII. Ground state properties: Ionization potentials, heats of atomization and spin densities
    1972, Vol. 37, Issue 2, pp. 541–549 [Abstract]
  • M. Černý and J. Málek
    Properties of sodium bis(2-methoxyethoxy)aluminium hydride. XII. Reduction and hydrogenolysis of sodium and bromomagnesium salts of some aliphatic and aromatic carboxylic acids
    1971, Vol. 36, Issue 6, pp. 2394–2397 [Abstract]
  • P. Čársky, P. Hobza and R. Zahradník
    Conjugated radicals. XI. para-Semiquinones
    1971, Vol. 36, Issue 3, pp. 1291–1300 [Abstract]
  • P. Čársky and R. Zahradník
    Conjugated radicals. VIII. A comparison of the open shell SCF results obtained by the method of Longuet-Higgins and Pople and by the method of Roothaan
    1971, Vol. 36, Issue 2, pp. 961–969 [Abstract]
  • P. Čársky, O. Chalvet, S. Hünig, D. Scheutzow and R. Zahradník
    Conjugated radicals. X. Bisazulenylethylene and related systems
    1971, Vol. 36, Issue 2, pp. 560–566 [Abstract]
  • M. Hájek, J. Málek and V. Bažant
    Kinetics of thermal decomposition of ammonium salts of terephthalic and isophthalic acids
    1971, Vol. 36, Issue 1, pp. 84–91 [Abstract]
  • M. Černý and J. Málek
    Properties of sodium bis(2-methoxyethoxy)aluminium hydride. XI. Reduction and hydrogenolysis of hydroxy-substituted aldehydes, ketones, carboxylic acids and carbinols of the naphthalene series
    1970, Vol. 35, Issue 10, pp. 3079–3084 [Abstract]
  • M. Černý and J. Málek
    Über die Eigenschaften von Natrium-bis-(2-methoxyäthoxy)aluminiumhydrid X. Reduktion und Hydrogenolyse einiger hydroxy- und alkoxysubstituierten aromatischen Carbinole, Aldehyde, Ketone, Carbonsäuren und ihrer Derivate
    1970, Vol. 35, Issue 7, pp. 2030–2043 [Abstract]
  • M. Černý and J. Málek
    Properties of sodium bis(2-methoxyethoxy)aluminium hydride. IX. Reduction and hydrogenolysis of amino-substituted aromatic aldehydes, ketones, carboxylic acids, esters, and carbinols
    1970, Vol. 35, Issue 4, pp. 1216–1223 [Abstract]
  • P. Čársky and R. Zahradník
    Conjugated radicals. V. Semiempirical calculations on the electronic spectra of perylene, α,ω-diphenylpolyene and polyphenyl anion radical
    1970, Vol. 35, Issue 3, pp. 892–898 [Abstract]
  • J. Hradil and J. Málek
    Veresterung von Benzolcarbonsäuren mit Äthylenglykol II. Kinetik der Veresterung von Benzoesäure in Gegenwart von Zinkkatalysatoren
    1969, Vol. 34, Issue 12, pp. 3959–3966 [Abstract]
  • M. Černý, J. Málek, M. Čapka and V. Chvalovský
    Properties of sodium bis-(2-methoxyethoxy)aluminium hydride. IV. Reduction of oximes, amides, lactams, imides and nitriles
    1969, Vol. 34, Issue 3, pp. 1033–1041 [Abstract]
  • M. Černý, J. Málek, M. Čapka and V. Chvalovský
    Properties of sodium bis-(2-methoxyethoxy)aluminium hydride. III. Reduction of carboxylic acids and their derivatives
    1969, Vol. 34, Issue 3, pp. 1025–1032 [Abstract]
  • P. Čársky and P. Zuman
    The use of simple molecular orbital theory to elucidate the polarographic behaviour of some para-substituted benzonitriles
    1969, Vol. 34, Issue 2, pp. 497–503 [Abstract]
  • P. Čefelín and J. Málek
    On the kinetics of polycondensation of bis(2-hydroxyethyl) terephthalate
    1969, Vol. 34, Issue 2, pp. 419–426 [Abstract]
  • P. Čársky, P. Zuman and V. Horák
    Fission of activated carbon-nitrogen and carbon-sulfur bonds. VII. Kinetics of ketol formation from α,β-unsaturated ketones in alkaline media
    1965, Vol. 30, Issue 12, pp. 4316–4336 [Abstract]
  • P. Čársky, P. Zuman and V. Horák
    Fission of activated carbon-nitrogen and carbon-sulphur bonds. V. Polarographic study of elimination of β-morpholino propiophenone
    1964, Vol. 29, Issue 12, pp. 3044–3056 [Abstract]
  • J. Málek and R. Lukeš
    Darstellung von 1-Isopropenyl-1-cyclopenten
    1963, Vol. 28, Issue 9, pp. 2520–2523 [Abstract]
  • L. Lacko, J. Málek and J. Dvořáková
    Über Dextran VIII. Einfluss von Kationen und Salzgemischen auf die Löslichkeit des Dextrans in wässrig-alkoholischer Lösung
    1959, Vol. 24, Issue 9, pp. 2954–2958 [Abstract]
  • L. Lacko and J. Málek
    Über Dextran VI. Der Einfluss der Dextrankonzentration, der Temperatur und des pH auf die Löslichkeit des Dextrans in wässrigalkoholischen Lösungen verschiedener Ionenstärke
    1958, Vol. 23, Issue 5, pp. 828–832 [Abstract]
  • L. Lacko and J. Málek
    Über Dextran IV. Die Wirkung von Phosphaten auf die Löslichkeit der Dextrane von verschiedenem Molekulargewicht in wässrig alkoholischer Lösung
    1958, Vol. 23, Issue 3, pp. 361–366 [Abstract]
  • L. Lacko and J. Málek
    Über Dextran III. Der Einfluss von Salzen auf die Löslichkeit teilweise abgebauten Dextrans in wässrig-alkoholischer Lösung
    1957, Vol. 22, Issue 4, pp. 1110–1113 [Abstract]
  • L. Lacko and J. Málek
    Über Dextran II. Die Bestimmung des Zahlendurchschnittes des Moleculargewichtes von teilweise abgebautem Dextran mittels der jodometrischen Methode
    1957, Vol. 22, Issue 4, pp. 1106–1109 [Abstract]
  • A. Kleinzeller and J. Málek
    Biosynthesis of fats from saccharides by yeasts. IV. The metabolism of Rhodotorula gracilis on glucose, D-xylose and sodium acetate
    1953, Vol. 18, Issue 3, pp. 428–438 [Abstract]
  • R. Lukeš and J. Málek
    The action of Grignard reagents on the amide group. XVI. 1-Methyl-1-azacyclononan-2-one
    1951, Vol. 16, pp. 23–32 [Abstract]