Document Type

Article

Date of Original Version

1994

DOI

10.1063/1.467863

Abstract

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.

Publisher Statement

© 1994 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in A. Matro, D.L. Freeman and J.D. Doll, “ Locating transition states using double-ended classical trajectories,” Journal of Chemical Physics, 101, 10458 (1994) and may be found at http://dx.doi.org/10.1063/1.467863

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