A Caltech Library Service

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

Møller, Klaus B. and Zewail, Ahmed H. (1998) Femtosecond dynamics of transition states: the classical saddle-point barrier reactions. Chemical Physics Letters, 295 (1-2). pp. 1-10. ISSN 0009-2614. doi:10.1016/S0009-2614(98)00927-0.

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item:


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.

Item Type:Article
Related URLs:
URLURL TypeDescription
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.
Funding AgencyGrant Number
Office of Naval Research (ONR)UNSPECIFIED
Air Force Office of Scientific Research (AFOSR)UNSPECIFIED
Carlsberg FoundationUNSPECIFIED
Issue or Number:1-2
Record Number:CaltechAUTHORS:20160823-144513843
Persistent URL:
Official Citation:Klaus B. Møller, Ahmed H. Zewail, Femtosecond dynamics of transition states: the classical saddle-point barrier reactions, Chemical Physics Letters, Volume 295, Issues 1–2, 2 October 1998, Pages 1-10, ISSN 0009-2614, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:69856
Deposited By: Ruth Sustaita
Deposited On:26 Aug 2016 17:11
Last Modified:11 Nov 2021 04:20

Repository Staff Only: item control page