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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. http://resolver.caltech.edu/CaltechAUTHORS:20160823-144513843

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Abstract

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.


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http://dx.doi.org/10.1016/S0009-2614(98)00927-0DOIArticle
http://www.sciencedirect.com/science/article/pii/S0009261498009270PublisherArticle
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.
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NSFUNSPECIFIED
Office of Naval Research (ONR)UNSPECIFIED
Air Force Office of Scientific Research (AFOSR)UNSPECIFIED
Carlsberg FoundationUNSPECIFIED
Record Number:CaltechAUTHORS:20160823-144513843
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20160823-144513843
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, http://dx.doi.org/10.1016/S0009-2614(98)00927-0. (http://www.sciencedirect.com/science/article/pii/S0009261498009270)
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ID Code:69856
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:26 Aug 2016 17:11
Last Modified:26 Aug 2016 17:11

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