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 @[email protected] (@[email protected]) 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 @[email protected] 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]
Cite as: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). Online version (2019-) created by S. J. Chalk. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook.
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Last revised: February 24, 2014