Locating Transition States Using Double-Ended Classical Trajectories

In this paper we present a method for locating transition states and higher‐order saddles on potential energy surfaces using double‐ended classical trajectories. We then apply this method to 7‐ and 8‐atom Lennard‐Jones clusters, finding one previously unreported transition state for the 7‐atom cluster and two for the 8‐atom cluster.