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

Klaus Braagaard Møller; Ahmed H. Zewail

doi:10.1016/S0009-2614(01)01380-X

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

Research output: Contribution to journal › Journal article › Research › peer-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 language	English
Journal	Chemical Physics Letters
Volume	351
Issue number	3-4
Pages (from-to)	281-288
ISSN	0009-2614
DOIs	https://doi.org/10.1016/S0009-2614(01)01380-X
Publication status	Published - 2002
Externally published	Yes

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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. (C) 2002 Elsevier Science B.V. All rights reserved. ",

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AU - Møller, Klaus Braagaard

AU - Zewail, Ahmed H.

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AB - 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.

U2 - 10.1016/S0009-2614(01)01380-X

DO - 10.1016/S0009-2614(01)01380-X

M3 - Journal article

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SP - 281

EP - 288

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

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ER -