Predissociation rates as a probe of intramolecular dynamics

Citation:

Sundberg, R.L. & Heller, E.J. Predissociation rates as a probe of intramolecular dynamics. J. Chem. Phys. 80, 3680 (1984).

Abstract:

We investigate the consequences of quasiperiodic and ergodic classical dynamics on predissociation rates from bound vibrational states into a continuum. We find a strong correlation between the quasiperiodic/ergodic motion and rate constants for certain locations of the predissociationsurface. Other locations for the predissociative surface are insensitive to the difference between classical motion which is confined to small regions of phase space and motion which samples a large portion of its available phase space.

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Last updated on 10/06/2016