Oscillating reactivity and resonances in the three-dimensional Cl+HCl reaction

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Abstract

A hyperspherical reactive scattering program is used to calculate J = 0 reaction probabilities for Cl + HCl. The results for a "tight bend" LEPS potential surface show oscillating reactivity and at least one narrow resonance (perhaps three), while results for a "loose bend" LEPS potential show no oscillating reactivity, and several broad peaks that correlate with rotationally adiabatic thresholds. Narrow resonance-like structure is also observed on the "loose bend' surface, with energies and widths that are similar to those on the "tight bend" surface.

Original languageEnglish
Pages (from-to)409-414
Number of pages6
JournalChemical Physics Letters
Volume151
Issue number4-5
DOIs
Publication statusPublished - Oct 21 1988

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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