Preferred Label : dynamic reaction path;
Detailed label : dynamic reaction path (DRP);
IUPAC acronym : DRP;
IUPAC definition : A classical trajectory method based on molecular orbital calculations which determines
atomic accelerations, velocities and positions using the energy gradient, and does
not require prior knowledge of the potential energy surface.;
Origin ID : DT07021;
Automatic exact mappings (from CISMeF team)
- See also
A classical trajectory method based on molecular orbital calculations which determines
atomic accelerations, velocities and positions using the energy gradient, and does
not require prior knowledge of the potential energy surface.
