Collect. Czech. Chem. Commun. 1994, 59, 1241-1250
https://doi.org/10.1135/cccc19941241

Ab initio Study of the Potential Curves for CO (X1Σ+), CH (X2Π) and OH (X2Π)

Martina Bittererováa, Stanislav Biskupiča, Hans Lischkab and Viliam Klimoc

a Department of Physical Chemistry, Slovak Technical University, 812 37 Bratislava, Slovak Republic
b Institut für Theoretische Chemie und Strahlenchemie der Universität Wien, Wahringerstrasse 17, A-1090 Wien, Austria
c Polymer Institute, Slovak Academy of Sciences, 842 36 Bratislava, Slovak Republic

Individual author index pages


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    1993, Vol. 58, Issue 2, pp. 234–243 [Abstract]
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    1987, Vol. 52, Issue 2, pp. 535–540 [Abstract]
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    1986, Vol. 51, Issue 4, pp. 731–737 [Abstract]
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    1985, Vol. 50, Issue 5, pp. 995–1000 [Abstract]
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    Study of potential curves by UHF type methods. Inversion and dissociation of NH3 molecule
    1984, Vol. 49, Issue 8, pp. 1731–1735 [Abstract]
  • Ján Urban, Viliam Klimo and Jozef Tiňo
    Quantum chemical modelling of reactions in hydrocarbon combustion. Study of the CH4 + O2 reactions
    1984, Vol. 49, Issue 6, pp. 1440–1447 [Abstract]
  • Ján Urban, Viliam Klimo and Jozef Tiňo
    Quantum chemical modelling of the reactions participating in hydrocarbon combustion. Production of the H atoms
    1984, Vol. 49, Issue 6, pp. 1432–1439 [Abstract]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF-type methods. Homonuclear diatomics of second row atoms
    1981, Vol. 46, Issue 13, pp. 3171–3178 [Abstract]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF type methods. Potential curve of F2 molecule
    1981, Vol. 46, Issue 6, pp. 1365–1369 [Abstract]
  • Jozef Tiňo, Viliam Klimo and Michael M. Mestechkin
    A simple way of calculation of spin densities from RHF wave function
    1980, Vol. 45, Issue 12, pp. 3283–3286 [Abstract]
  • Stanislav Biskupič and Peter Pelikán
    Evaluation of pseudopotential integrals over gaussian lobe basis functions
    1980, Vol. 45, Issue 10, pp. 2724–2727 [Abstract]
  • Jozef Tiňo, Wilfried Kühnel and Viliam Klimo
    Problem of spin contamination and basis set in ab initio UHF spin density calulations
    1978, Vol. 43, Issue 1, pp. 30–36 [Abstract]