Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Location of Transition States by the Conjugate Reaction Coordinate Method

  • Published : 1986.10.20
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Abstract

A relatively simple method of locating the saddle point is presented. In this method a single determination of the saddle point location by constrained energy minimizations for points selected on the assumed saddle surface provides us with the structure, location and energy of the TS, the reaction path at the saddle point and characterization as the TS. Some examples were given.

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References

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