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Phase space structures governing reaction dynamics in rotating molecules
(Iop Publishing Ltd, 2012)
Recently, the phase space structures governing reaction dynamics in Hamiltonian systems have been identified and algorithms for their explicit construction have been developed. These phase space structures are induced by ...
Reaction Dynamics Through Kinetic Transition States
(Amer Physical Soc, 2013)
The transformation of a system from one state to another is often mediated by a bottleneck in the system's phase space. In chemistry, these bottlenecks are known as transition states through which the system has to pass ...