The detailed description of chemical reaction rates is embodied in transition state theory
(TST), now recognized as one of the great achievements of theoretical chemistry. TST …

Roaming is a recently verified unusual pathway to molecular products from unimolecular
dissociation of an energized molecule. Here we present the evidence for this pathway for …

There has been great progress in the development of potential energy surfaces (PESs) for
reaction dynamics that are fits to ab initio energies. The fitting techniques described here …

Roaming mechanisms, involving the brief generation of a neutral atom or molecule that
stays in the vicinity before reacting with the remaining atoms of the precursor, are providing …

Reaction pathways that bypass the conventional saddle-point transition state (TS) are of
considerable interest and importance. An example of such a pathway, termed “roaming,” has …

We develop Wigner's approach to a dynamical transition state theory in phase space in both
the classical and quantum mechanical settings. The key to our development is the …

Roaming reactions were first clearly identified in photodissociation of formaldehyde 15 years
ago, and roaming dynamics are now recognized as a universal aspect of chemical reactivity …

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In this review the roaming pathway in chemical reaction dynamics is described and
illustrated. After a brief review and illustration of this pathway, an update on the chemical …

Classical chemical dynamics simulations of post-transition state dynamics are reviewed.
Most of the simulations involve direct dynamics for which the potential energy and gradient …