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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 12, Number 5
BKCSDE 12(5)
May 20, 1991

Title	The Effect of Minimum Energy Path Curvature on the Dynamic Threshold for Collision-induced Dissociation
Author	Kihyung Song
Keywords
Abstract	In this paper, the question whether the curvature of the minimum energy path can affect the dynamic threshold was tested using the boundary trajectory method developed by Chesnavich and coworkers. For nonreactive system, the MO EXP model potential surface was used with modified equilibrium distance to control the curvature. The results showed that there is no relation between the curvature and the dynamic threshold. In order to study the reactive system, a generalization of the boundary trajectory method was achieved to apply on the nonsymmetric system. We have found no correspondence between the curvature and the dynamic threshold of the system. It was also shown that the fate of the trajectories strongly depends on the shape of potential surface around the turning points along the symmetric stretch line.
Page	529 - 536
Full Text	PDF

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