Timescale of isomerization reactions and isotropic inflation model of basin boundaries in cluster dynamics

Tomohiro Yanao*, Kazuo Takatsuka

*この研究の対応する著者

研究成果: Article査読

11 被引用数 (Scopus)

抄録

We present a theoretical treatment that accounts for the internal-energy dependence of the rate of geometrical isomerization of Ar7-like clusters in the so-called liquid-like phase (high-energy region). Since many trajectories representing this reaction pass through a broad range of basin boundaries other than the transition state and since there are many channels involved, the reaction rate is not determined by a few local characteristics of the potential surfaces such as the transition state or the reaction coordinates. We therefore propose a reaction rate model which is based on the isotropic inflation of the density of states at the global basin boundaries.

本文言語English
ページ(範囲)633-638
ページ数6
ジャーナルChemical Physics Letters
313
3-4
DOI
出版ステータスPublished - 1999 11 12
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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