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Application of Reaction Path Smoluchowski Equation Formalism to the Photoisomerization of Trans-Stilbene
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  • Application of Reaction Path Smoluchowski Equation Formalism to the Photoisomerization of Trans-Stilbene
  • Application of Reaction Path Smoluchowski Equation Formalism to the Photoisomerization of Trans-Stilbene
저자명
Kim. Dong-Sup,Lee. Sang-Youb
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1991년|12권 6호|pp.692-698 (7 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

The reaction path Smoluchowski equation approach developed in a recent work to calculate the rate constant for a diffusive multidimensional barrier crossing process is extended to incorporate the configuration-dependent diffusion matrix. The resulting formalism is then applied to the investigation of stilbene photoisomerization dynamics. Adapting a model two-dimensional potential and a model diffusion matrix proposed by Agmon and Kosloff [J. Phys. Chem.,91 (1987) 1988], we derive an eigenvalue equlation for the relaxation rate constant of the stilbene photoisomerization. This eigenvalue equation is solved numerically by using the finite element method. The advantages and limitations of the present method are discussed.