dynamic reaction path (DRP)

https://doi.org/10.1351/goldbook.DT07021
A classical trajectory method based on @[email protected] calculations which determines atomic accelerations, velocities and positions using the @[email protected], and does not require prior knowledge of the potential energy surface.
Source:
PAC, 1999, 71, 1919. (Glossary of terms used in theoretical organic chemistry) on page 1935 [Terms] [Paper]
Cite as: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). Online version (2019-) created by S. J. Chalk. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook.
Div. IIIPDFTextJSONHistory
Last revised: February 24, 2014