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minimum-energy reaction path

Acronym: MERP

Path orthogonal to the equipotential contours of a potential energy surface that connects the energy minima through a saddle point (transition state) 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 transformation of reactants to products.
PAC, 2007, 79, 293 (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 370
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
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