Collect. Czech. Chem. Commun. 1983, 48, 1799-1809
https://doi.org/10.1135/cccc19831799

Case studies of some atoms-in-molecules formulations

Rudolf Polák and Jan Vojtík

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

  • Jiří Fišer* and Rudolf Polák
    Electron Affinities of BN, NO and NF: Coupled Cluster and Multireference Configuration Interaction Calculations
    2005, Vol. 70, Issue 7, pp. 923–940 [Abstract]
  • Jiří Fišer*, Tomáš Boublík and Rudolf Polák
    Intermolecular Interactions in the (CO2)2, N2-CO2 and CO-CO2 Complexes
    2004, Vol. 69, Issue 1, pp. 177–188 [Abstract]
  • Rudolf Polák* and Jiří Fišer
    The Rovibrational Dependence of the 14N Nuclear Quadrupole Coupling Constants in the X2Σ+ and B2Σ+ States of CN from the Multireference CI Approach
    2003, Vol. 68, Issue 3, pp. 509–528 [Abstract]
  • Rudolf Polák
    The Diatomics-in-Molecules Method as a Means for Predicting Potential-Energy-Surface Topolology.A Case Study for the Reaction of C+ with O2
    1998, Vol. 63, Issue 9, pp. 1329–1342 [Abstract]
  • Jan Vojtík and Richard Kotal
    Convergence Properties of Quasiclassical Trajectory Calculations on Dynamics of Autoionization Event in He(23S)-D2 Penning Ionization
    1997, Vol. 62, Issue 2, pp. 154–171 [Abstract]
  • Jan Lörinčík, Rudolf Polák, Zdeněk Šroubek and Ivana Paidarová
    A Comparative Study of the Variable Screening and Hartree-Fock Models as Means for the Construction of Two-Center Correlation Diagrams
    1995, Vol. 60, Issue 2, pp. 161–171 [Abstract]
  • Rudolf Polák and Jan Vojtík
    Assessment of atoms-in-molecules approaches to the diatomic input data generation for the diatomics-in-molecules method
    1988, Vol. 53, Issue 10, pp. 2353–2365 [Abstract]
  • Jan Vojtík, Vladimír Špirko and Per Jensen
    Vibrational energies of H3+ and Li3+ based on the diatomics-in-molecules potentials
    1986, Vol. 51, Issue 10, pp. 2057–2062 [Abstract]
  • Jan Vojtík, Jiří Šavrda and Jiří Fišer
    Monte Carlo quasiclassical trajectory study of a 2D model of chemisorption of H2 on a metallic cluster surface
    1985, Vol. 50, Issue 9, pp. 2028–2040 [Abstract]
  • Jan Vojtík, Alena Krtková and Rudolf Polák
    Nonadiabatic coupling in the Li2-Li2+ system
    1985, Vol. 50, Issue 5, pp. 1010–1021 [Abstract]
  • Rudolf Polák
    On the projection approach to interpretation of chemical valence concepts
    1978, Vol. 43, Issue 12, pp. 3292–3296 [Abstract]