Exact Quantum, Quasiclassical, and Semiclassical Reaction Probabilities for the Collinear F + D2 Yields FD + D Reaction.

摘要

Exact quantum, quasiclassical, and semiclassical reaction probabilities and rate constants for the collinear reaction F + D2 yields FD + D are presented. In all calculations, a high degree of population inversion is predicted with P(03) super R and P(04) super R being the dominant reaction probabilities. In analogy with the F + H2 reaction (preceding paper), the exact quantum 0 yields 3 and 0 yields 4 probabilities show markedly different energy dependence with P(03) super R having a much smaller effective threshold energy (ET = 0.014 eV) than P(04) super R (0.055eV).