Quantum mechanical scattering calculations on a spline-fitted ab initio surface: the He + H+2 (ν = 0, 1, 2) → HeH+ + H reaction
- 1 June 1977
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 48 (2) , 350-353
- https://doi.org/10.1016/0009-2614(77)80330-8
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Reactive scattering calculations on a splinefitted a b i n i t i o surface: The He+H+2(v=0,1,2) →HeH++H reactionThe Journal of Chemical Physics, 1976
- Trajectory calculation of the effectiveness of reagent vibration in the H+2+He→HeH++H or He+H+H+ reactionsThe Journal of Chemical Physics, 1976
- Quantum mechanical scattering studies using 2D cubic spline interpolation of a potential-energy surfaceThe Journal of Chemical Physics, 1976
- Trajectory calculations for the reaction H2+ + He → H + HeH+Chemical Physics Letters, 1975
- Quasiclassical trajectory studies using 3D spline interpolation of a b i n i t i o surfacesThe Journal of Chemical Physics, 1975
- Collinear quantum mechanical calculations of the He + H+2 proton transfer reactionsChemical Physics Letters, 1974
- Ab initio dynamics: HeH+ + H2 → He + H3+ (C 2ν) classical trajectories using a quantum mechanical potential-energy surfaceThe Journal of Chemical Physics, 1973
- Use of the method of diatomics-in-molecules in fitting ab initio potential surfaces:the system HeH+2Chemical Physics Letters, 1972
- Nonempirical LCAO–MO–SCF Study of the Energy Surface for Linear HeH2+The Journal of Chemical Physics, 1971
- Dynamics of the Collinear H+H2 Reaction. I. Probability Density and FluxThe Journal of Chemical Physics, 1971