Reactive island theory

Zhao-Rice Approximation Reactive Island Theory... 

Gray-Rice Theory Versus Reactive Island Theory Isomerization in Double-Well Systems Isomerization in a Triple-Well System Isomerization of 3-Phospholene Isomerization of HCN — CNH Isomerization of Cyclobutanone (C4H6O)... 

A beautiful classical theory of unimolecular isomerization called the reactive island theory (RIT) has been developed by DeLeon and Marston [23] and by DeLeon and co-workers [24,25]. In RIT the classical phase-space structures are analyzed in great detail. Indeed, the key observation in RIT is that different cylindrical manifolds in phase space can act as mediators of unimolecular conformational isomerization. Figure 23 illustrates homoclinic tangling of motion near an unstable periodic orbit in a system of two DOFs with a fixed point T, and it applies to a wide class of isomerization reaction with two stable isomer... 

De Leon and co-workers [34—37] established an elegant reaction theory for a system with two DOFs, the so-called reactive island theory to mediate reactions through cylindrical manifolds apart from the saddles. Their original algorithm depends crucially on the existence of pure unstable periodic orbits in the nonreactive DOFs in the region of the saddles and did not extend to systems with many DOFs. 

Then, how can one capture the global aspects of the phase-space geometry from the geometric structure of the phase space in that local region One can find an essential clue from an insightful classical theory for isomerization reactions composed of two DOFs, so-called reactive island theory (RIT) developed by De Leon, Marston, Mehta, and Ozorio De Almeida [34—37] (see also Ref. 55). 

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