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Harmonic approximation, unimolecular reaction

This is an approach for the calculation of the microcanonical rate constant k(E) for indirect unimolecular reactions that is based on several approximations. The molecule is represented by a collection of s uncoupled harmonic oscillators. According to Appendix E, such a representation is exact close to a stationary point on the potential energy surface. Furthermore, the dynamics is described by classical mechanics. [Pg.176]


See other pages where Harmonic approximation, unimolecular reaction is mentioned: [Pg.457]    [Pg.35]    [Pg.116]    [Pg.222]    [Pg.220]    [Pg.104]    [Pg.230]   


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Harmonic approximation

Unimolecular reaction

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