Classical Trajectory Studies on Planar Reactive H + H2
- 1 October 1972
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 57 (7) , 2758-2761
- https://doi.org/10.1063/1.1678662
Abstract
Classical trajectory calculations on planar reactive collisions of H+H2 are presented and compared with previously reported quantum calculations. Probability of reaction versus impact parameter compares reasonably well for the two calculations. Classical angular distributions match the back peak of the quantum results but show no forward peak. The classical distribution of product rotational states is sharply peaked at the initial state while the quantum distribution is a very smooth function of rotational state.Keywords
This publication has 14 references indexed in Scilit:
- Quantum Calculations of Planar Reactive H+H2. I. TheoryThe Journal of Chemical Physics, 1972
- Effects of Variations of the Potential-Energy Surface on the Attributes of Simple Exchange Reactions: Classical CalculationsThe Journal of Chemical Physics, 1972
- Resonances in reactive collisions: Computational study of the H + H2 collisionChemical Physics Letters, 1971
- Quantum Theory of (H,) Scattering: Approximate Treatments of Reactive ScatteringPhysical Review A, 1971
- Classical S Matrix for Linear Reactive Collisions of H+Cl2The Journal of Chemical Physics, 1971
- Quantum mechanical computational studies of chemical reactions: I. Close-coupling method for the collinear H + H2reactionMolecular Physics, 1971
- Comparison of Quantum and Classical Theories of an Idealized Three-Body Rearrangement CollisionThe Journal of Chemical Physics, 1969
- Classical Probabilities of Reaction and Transmission Coefficients for Isotopic Reactions of the Type H+H2=H2+HThe Journal of Chemical Physics, 1968
- Permeabilities and Transmission Coefficients for Various Isotopic Reactions of the Type H + H2=H2 + HThe Journal of Chemical Physics, 1968
- Potential-Energy Surface for H3The Journal of Chemical Physics, 1968