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Collect. Czech. Chem. Commun. 1977, 42, 1-15
https://doi.org/10.1135/cccc19770001

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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  • Slanina Zdeněk, Uhlík Filip: A computational evaluation of the gas‐phase ClO dimerization thermodynamics. Geophysical Research Letters 1991, 18, 1703. <https://doi.org/10.1029/91GL02140>
  • Slanina Zdeněk: Pressure enhancement of gas-phase water oligomer populations: A RRHO MCY-B/EPEN computational study. Z Phys D - Atoms, Molecules and Clusters 1987, 5, 181. <https://doi.org/10.1007/BF01436893>
  • Slanina Zdeněk: Measuring energy-entropy competition and compensation in chemical reactions: a theoretical study of the role of entropy in the formation of Van Der Waa. Thermochimica Acta 1987, 118, 79. <https://doi.org/10.1016/0040-6031(87)80072-2>
  • Schädler Hans Dieter, Schroth Werner: Theoretische Berechnung der Temperaturabhängigkeit primärer Zerfallsgleichgewichte des Harnstoffs in der Gasphase. Zeitschrift fuer Chemie 1984, 24, 417. <https://doi.org/10.1002/zfch.19840241118>
  • Slanina Zdeněk: On the role of ethenol in equilibrium gas-phase ethanal. Chemical Physics Letters 1984, 105, 531. <https://doi.org/10.1016/0009-2614(84)80105-0>
  • Slanina Zdenêk: An Improved Formula for the Partition Function of a Single Free Internal Rotation and Its Consequences Regarding Evaluation of Thermodynamic Functions. Ber Bunsenges Phys Chem 1983, 87, 28. <https://doi.org/10.1002/bbpc.19830870109>
  • Slanina Zdeněk: HF—CIF isomerism: the consequences regarding system thermodynamics. Chemical Physics Letters 1981, 83, 418. <https://doi.org/10.1016/0009-2614(81)85492-9>
  • 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. <https://doi.org/10.1016/0378-4487(79)80021-7>
  • 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. <https://doi.org/10.1016/0009-2614(78)80068-2>
  • 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. <https://doi.org/10.1016/0009-2614(77)80356-4>
  • 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. <https://doi.org/10.1016/0009-2614(77)85132-4>
  • 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. <https://doi.org/10.1016/0301-0104(77)87061-4>