minimum-energy reaction path (MERP)
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).
MERP calculation allows the investigation of detailed changes in molecular structure describing the @[email protected] of reactants to products.
PAC, 2007, 79, 293. (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 370 [Terms] [Paper]