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Kinetics modeling of dynamics: the case of femtosecond-activated direct reactions

Møller, Klaus B. and Zewail, Ahmed H. (2002) Kinetics modeling of dynamics: the case of femtosecond-activated direct reactions. Chemical Physics Letters, 351 (3-4). pp. 281-288. ISSN 0009-2614. doi:10.1016/S0009-2614(01)01380-X. https://resolver.caltech.edu/CaltechAUTHORS:20160818-103816113

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Abstract

A comparison between a kinetics model and the familiar picture of femtosecond dynamics for direct bond breakage is presented. The kinetics model involves a series of consecutive first-order reactions between transient configurations of the molecule as the bond stretches, before it breaks. We show that in the limit where a large enough number of transient configurations are included, the kinetics model reproduces the molecular response expected from the dynamical picture in a classical, one-trajectory sense.


Item Type:Article
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http://dx.doi.org/10.1016/S0009-2614(01)01380-XDOIArticle
http://www.sciencedirect.com/science/article/pii/S000926140101380XPublisherArticle
Additional Information:© 2002 Elsevier Science B.V. Received 26 October 2001; in final form 12 November 2001. Available online 14 December 2001. This work was supported by the National Science Foundation and the US Air Force Office of Scientific Research.
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Air Force Office of Scientific Research (AFOSR)UNSPECIFIED
Issue or Number:3-4
DOI:10.1016/S0009-2614(01)01380-X
Record Number:CaltechAUTHORS:20160818-103816113
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160818-103816113
Official Citation:Klaus B. Møller, Ahmed H. Zewail, Kinetics modeling of dynamics: the case of femtosecond-activated direct reactions, Chemical Physics Letters, Volume 351, Issues 3–4, 10 January 2002, Pages 281-288, ISSN 0009-2614, http://dx.doi.org/10.1016/S0009-2614(01)01380-X. (http://www.sciencedirect.com/science/article/pii/S000926140101380X)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:69755
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:18 Aug 2016 19:09
Last Modified:11 Nov 2021 04:19

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