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Dynamical extensions of QET

Methods which are called statistical—dynamical have been developed for the treatment of translational energy release [575, 578, 579, 730, 935]. What this usually means is that the region between transition state and products is treated by a mixture of statistical and dynamical methods. Typically, the dynamics of a small number of selected degrees of freedom would be described approximately and the rest would be assumed to behave statistically. [Pg.152]

The introduction of dynamical effects to treat the region between transition state and products has allowed experimental translational energy release distributions to be reproduced quite closely [935]. To date, the number of systems studied has been small. The method is of general applicability and reactions with reverse critical energies can be considered. [Pg.152]

In the case of the dissociation of the collision complex formed from [Pg.152]

The dynamical theory treats the partition of reverse critical energy in terms of the atomic motions within the molecule at the transition [Pg.153]

Alternatively, the essence of the theory can be expressed succinctly in mathematical terms. If the transition state reaction coordinate is defined by a 3iV-dimensional vector in mass normalised space, which is projected onto the 3-dimensional mass normalised subspace of the product separation coordinate, the proportion q of the reverse critical energy appearing as relative translational energy of products is [Pg.154]


See other pages where Dynamical extensions of QET is mentioned: [Pg.152]    [Pg.152]   


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