" /> dynamic reaction path - CISMeF





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.;

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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.

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29/07/2025


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