Integral cross sections and rate constants for H + H2(ν = 1) → H2 (ν = 0, 1) + H are calculated using a coupled states solution to the three-dimensional Schrödinger equation. The results indicate that the large difference between theory and experiment for this reaction is not due to the dynamics calculation.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry