Dynamic reaction path
Term · Chemistry · MLC-T-CHM-003500
A trajectory in phase space that describes the time-evolution of a chemical reaction, considering the motion of atoms under the influence of the potential energy surface. Unlike a static reaction path, it accounts for the kinetic energy and momentum of the reacting species. This approach is often used in molecular dynamics simulations to understand reaction mechanisms.
| Identifier | MLC-T-CHM-003500 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| References | PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1935 (https://doi.org/10.1351/pac199971101919) |
| See also | Energy gradient; Molecular orbital |
Record as JSON
{
"id": "MLC-T-CHM-003500",
"term": "Dynamic reaction path",
"field": "Chemistry",
"definition": "A trajectory in phase space that describes the time-evolution of a chemical reaction, considering the motion of atoms under the influence of the potential energy surface. Unlike a static reaction path, it accounts for the kinetic energy and momentum of the reacting species. This approach is often used in molecular dynamics simulations to understand reaction mechanisms.",
"subject": "Organic and Biomolecular Chemistry",
"see_also": [
"energy gradient",
"molecular orbital"
],
"references": [
"PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1935 (https://doi.org/10.1351/pac199971101919)"
],
"url": "https://mlchart.com/terminology/chemistry/dynamic-reaction-path/"
}
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