Issue 4, 1992

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.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1992,88, 543-544

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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements