minimum-energy reaction path (MERP)

https://doi.org/10.1351/goldbook.M03931
Path orthogonal to the equipotential contours of a potential energy surface that connects the energy minima through a @C01145@ (@T06468@) from which it slopes downwards along the steepest descending lines in \(3N-6\) configurational space (\(N\) is the number of nuclei in the reacting system).
Note:
MERP calculation allows the investigation of detailed changes in molecular structure describing the @T06446@ of reactants to products.
Source:
PAC, 2007, 79, 293. (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 370 [Terms] [Paper]
Citation: 'minimum-energy reaction path' in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. https://doi.org/10.1351/goldbook.M03931 RIS BibTex EndNote
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Last revised: February 24, 2014