IUPAC > Gold Book > alphabetical index > D > dynamic reaction path (DRP)
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dynamic reaction path (DRP)

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.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1935
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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: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.DT07021.
Original PDF version: http://www.iupac.org/goldbook/DT07021.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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