Preferred Label : minimum-energy reaction path;
IUPAC acronym : MERP;
IUPAC definition : 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).;
Scope note : merp calculation allows the investigation of detailed changes in molecular structure
describing the transformation of reactants to products.;
Origin ID : M03931;
See also
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).
