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Collect. Czech. Chem. Commun. 1977, 42, 1-15

Applicability of semiempirical methods in calculations of equilibrium constants of gas-phase chemical reactions

Z. Slanina, P. Berák and R. Zahradník

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  • Bendig J��rgen, Siegmund Manfred, Helm Siegrun, Slanina Z., W.J.O.-T: The dependence of the heavy atom induced quenching of the fluorescence of n-methylacridone upon the solvent. Advances in Molecular Relaxation and Interaction Processes 1979, 14, 121. <>
  • Kellö Vladimir, Urban Miroslav, Čársky Petr, Slanina Zdeněk: Ab initio studies of chemical equilibria. Equilibria containing first row hydrides AH2, AH3, and AH4 and their positive ions. Chemical Physics Letters 1978, 53, 555. <>
  • Slanina Z.: CNDO/2 study of the mechanism and kinetics of the CIS-trans isomerization of N2F2(g) using the activated-complex theory. Chemical Physics Letters 1977, 50, 418. <>
  • Slanina Z.: Determination of the zero point energy difference of trans- and cis-(NO)2 from the equilibrium constant of nitric oxide dimerization. Chemical Physics Letters 1977, 52, 117. <>
  • Hans Lischka, Petr Čarsky, Rudolf Zahradník: AB initio studies of chemical equilibria. III. SCF and CEPA calculations of the equilibrium constants of the reactions C2H2 + OH− ⇌C2H− + H2O and Li + H2O⇌LiOH + H. Chemical Physics 1977, 25, 19. <>