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Published October 2, 1998 | public
Journal Article

Femtosecond dynamics of transition states: the classical saddle-point barrier reactions


In this Letter, we report molecular dynamics studies of the transition state (A+BC) of saddle-point barrier reactions. We compare the theoretical findings with direct experimental observation of reaction times and kinetic energy distributions for the IHgI system. The results account for the dynamics of two- and three-body recoil from the transition state to final products and elucidate the nature of concerted (symmetric) and non-concerted (asymmetric) motions of the nuclei.

Additional Information

© 1998 Elsevier B.V. Received 5 July 1998; revised 22 July 1998. Available online 20 October 1998. The authors wish to thank Dr. M. Gruebele and Mr. D. Zhong for helpful discussions. We also wish to thank Professor Vince McKoy for a thorough reading of the manuscript and for useful comments. This research was supported by the National Science Foundation, the Office of Naval Research, and US AFOSR. KBM thanks the Carlsberg Foundation of Denmark for a generous fellowship.

Additional details

August 19, 2023
October 20, 2023