Collect. Czech. Chem. Commun. 1981, 46, 2595-2599

Ab initio calculations of the ground state potential function of the hydroxyl anion by means of the many-body Rayleigh-Schrödinger perturbation theory

Ivan Kozáka, Vladimír Špirkob and Petr Čárskyb

a INORGA, 040 01 Košice
b The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 121 38 Prague 2

Individual author index pages

Other CCCC articles of these authors

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    2005, Vol. 70, Issue 6, pp. 731–739 [Abstract]
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  • Oscar Rey Puiggros, Jiří Pittner*, Petr Čársky*, Philipp Stampfuss and Wolfgang Wenzel
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    2003, Vol. 68, Issue 12, pp. 2309–2321 [Abstract]
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    1998, Vol. 63, Issue 9, pp. 1309–1320 [Abstract]
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    Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Means of the Faddeeva Function and Its Derivatives
    1998, Vol. 63, Issue 8, pp. 1264–1284 [Abstract]
  • Petr Čársky, Vojtěch Hrouda, Vladimír Sychrovský, Ivan Hubač, Peter Babinec, Pavol Mach, Ján Urban and Jozef Mášik
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    1995, Vol. 60, Issue 9, pp. 1419–1428 [Abstract]
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    1993, Vol. 58, Issue 12, pp. 2813–2830 [Abstract]
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    The computation of vibrational spectra of triplet species
    1988, Vol. 53, Issue 9, pp. 1981–1988 [Abstract]
  • Jan Vojtík, Vladimír Špirko and Per Jensen
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    1986, Vol. 51, Issue 10, pp. 2057–2062 [Abstract]
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    Reduced double-minimum potential curves for XY3 pyramidal molecules
    1985, Vol. 50, Issue 7, pp. 1519–1536 [Abstract]
  • Joachim Sauer, Petr Čársky and Rudolf Zahradník
    INDO/S calculations on simple silicon compounds and some silicon organic molecules
    1982, Vol. 47, Issue 4, pp. 1149–1168 [Abstract]
  • Ivan Kozák and Petr Čársky
    Ab initio calculation of the equilibrium constant of the reaction Na + H2O ⇌ NaOH + H
    1981, Vol. 46, Issue 9, pp. 2146–2148 [Abstract]
  • Petr Čársky and Ivan Hubač
    Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism
    1981, Vol. 46, Issue 6, pp. 1324–1331 [Abstract]
  • Jiří Jarý, Milena Masojídková, Ivan Kozák, Miroslav Marek and Jan Staněk, Jr.
    The preparation of 3-amino-3-deoxy-1,2-O-isopropylidene-α-L-erythrofuranose, 3-amino-3-deoxy-1,2-O-isopropylidene-β-D-threofuranose and their derivatives
    1980, Vol. 45, Issue 12, pp. 3378–3390 [Abstract]
  • Pavel Hobza, Petr Čársky and Rudolf Zahradník
    The dimer (HCl)2: Stationary points on the SCF 4-31G energy hypersurface and the role of entropy in the dimer formation
    1979, Vol. 44, Issue 12, pp. 3458–3463 [Abstract]
  • Petr Čársky
    Quantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations
    1979, Vol. 44, Issue 12, pp. 3452–3457 [Abstract]
  • Dietmar Heidrich, Pavel Hobza, Petr Čársky and Rudolf Zahradník
    Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene
    1978, Vol. 43, Issue 11, pp. 3020–3023 [Abstract]
  • Petr Čársky, Rudolf Zahradník, Miroslav Urban and Vladimír Kellӧ
    Ab initio calculations on the equilibrium constant of the reaction NH2- + H2 ⇌ NH3 + H- by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory
    1978, Vol. 43, Issue 8, pp. 1965–1973 [Abstract]
  • Pavel Hobza, Petr Čársky and Rudolf Zahradník
    Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction
    1978, Vol. 43, Issue 3, pp. 676–680 [Abstract]