Chaotic motion in bending induced intramolecular transition: A case study of HCN, HNC and the transition state

Shuching Ou; Guozhen Wu; Peijie Wang

doi:10.1016/j.cplett.2006.10.122

Chaotic motion in bending induced intramolecular transition: A case study of HCN, HNC and the transition state

Shuching Ou, Guozhen Wu, Peijie Wang

Sealy Center for Structural Biology & MB

Research output: Contribution to journal › Article

2 Scopus citations

Abstract

Chaotic motion in the bending induced intramolecular transition of HCN, HNC and the transition state is explored by three approaches: (1) Lyapunov analysis, which is based on the classical phase space for the levels, (2) statistical analysis of the distribution of the adjacent level spacing and (3) analysis based on level spacing dips, which integrates the concepts of pendulum dynamics and quantized levels. The three analyses show consistent conclusions: chaos appears only above the transition point and the degree of chaos shows fluctuations as the level energy increases.

Original language	English (US)
Pages (from-to)	623-628
Number of pages	6
Journal	Chemical Physics Letters
Volume	432
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2006.10.122
State	Published - Dec 11 2006

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ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Cite this

Ou, S., Wu, G., & Wang, P. (2006). Chaotic motion in bending induced intramolecular transition: A case study of HCN, HNC and the transition state. Chemical Physics Letters, 432(4-6), 623-628. https://doi.org/10.1016/j.cplett.2006.10.122

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10.1016/j.cplett.2006.10.122