Ab initio molecular orbital calculations on F+H2→HF+H and OH+H2→ H2O+H using unrestricted Møller-Plesset perturbation theory with spin projection

This publication has 27 references indexed in Scilit:

• Quantum chemistry by random walk: Application to the potential energy surface for F+H2→HF+H
  The Journal of Chemical Physics, 1987
• Estimation of higher-order correlation effects on the potential energy surface for the F+H2 reaction in the saddle point vicinity
  The Journal of Chemical Physics, 1987
• Full CI studies of the collinear transition state for the reaction F+H2→HF+H
  The Journal of Chemical Physics, 1987
• The potential energy surface for the F+H2 reaction as a function of bond angle in the saddle point vicinity
  The Journal of Chemical Physics, 1986
• Theoretical studies of the energetics and mechanisms of chemical reactions: abstraction reactions
  The Journal of Physical Chemistry, 1986
• The atomic fluorine + molecular hydrogen potential energy surface: the ecstasy and the agony
  The Journal of Physical Chemistry, 1985
• An improved calculation of the transition state for the F + H2 reaction
  Chemical Physics Letters, 1985
• Further theoretical examination of the F + H2 entrance channel barrier
  Chemical Physics Letters, 1985
• A b i n i t i o calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces
  The Journal of Chemical Physics, 1984
• A theoretical study of the potential energy surface for OH+H2
  The Journal of Chemical Physics, 1980