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

Klaus Braagaard Møller, Ahmed H. Zewail

Research output: Contribution to journalJournal articleResearchpeer-review

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. (C) 2002 Elsevier Science B.V. All rights reserved.
Original languageEnglish
JournalChemical Physics Letters
Volume351
Issue number3-4
Pages (from-to)281-288
ISSN0009-2614
DOIs
Publication statusPublished - 2002
Externally publishedYes

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