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Temperature dependence phase-space transition states

In the previous section we demonstrated how variational transition state theory may be usefully applied to systems described by a space- and time-dependent generalized Lan-gevin equation. The harmonic nature of the bath implicit in the STGLE led to a compact analytical expression for the optimized planar dividing surface result. Except for very low temperatures, most reactive systems cannot be described in terms of a harmonic bath. In this section we demonstrate how the VTST formalism may be applied to general condensed phase reactive systems. For a recent review, see Ref. 80. [Pg.639]


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Phase Dependence

Phase dependency

Phase space

Phase transition temperature

Phase-space transition states

Phase-space transition states temperature

State dependency

State temperature dependence

State-dependent

State-space

Temperature dependence transition

Temperature dependence, phase

Transitional space

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