Collect. Czech. Chem. Commun. 1971, 36, 3482-3496
https://doi.org/10.1135/cccc19713482

Ab initio SCF-MO-LCAO calculations with a molecule-calibrated contracted Gaussian basis. I. CH3+,CH3-, ethylene

M. Urban

Individual author index pages


Other CCCC articles of these authors

  • 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]
  • M. Urban, S. Pavlík, V. Kellö and J. Mardiaková
    Interactions of ions. Ab initio SCF-MO-LCAO calculations of Li+-H2O-OH- with a minimal Gaussian basis set
    1975, Vol. 40, Issue 3, pp. 587–596 [Abstract]
  • M. Urban and R. Polák
    On the use of localized orbitals for determination of contracted Gaussian basis sets in ab initio molecular calculations
    1974, Vol. 39, Issue 9, pp. 2567–2575 [Abstract]
  • M. Urban
    Ab initio SCF-MO-LCAO calculations with a molecule-calibrated contracted Gaussian basis. II. Optimization of exponents and contraction coefficients
    1973, Vol. 38, Issue 7, pp. 2043–2053 [Abstract]
  • L. Milička and M. Urban
    Untersuchung der photochemischen Reduktion von Kaliumbichromat in wässrigen und kolloiden Lösungen
    1966, Vol. 31, Issue 8, pp. 3068–3082 [Abstract]