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Issue 4, 1992
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Limitations of the Murrell–Laidler theorem

Abstract

Counter-examples are found limiting the conditions of validity of a demonstration by Murrell and Laidler concerning saddle points on multidimensional potential surfaces. We show that it is not necessary for the highest energy point on the lowest energy path between two potential minima to be a stationary point of rank 1. Hence, it is possible for a transition state, defined as the highest-energy point on a lowest-energy path, to connect more than two potential wells.

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Article type: Paper
DOI: 10.1039/FT9928800543
Citation: J. Chem. Soc., Faraday Trans., 1992,88, 543-544
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    Limitations of the Murrell–Laidler theorem

    D. J. Wales and R. S. Berry, J. Chem. Soc., Faraday Trans., 1992, 88, 543
    DOI: 10.1039/FT9928800543

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