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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.

Table 1. Record
IdentifierMLC-T-CHM-003500
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1935 (https://doi.org/10.1351/pac199971101919)
See alsoEnergy 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/"
}

Record 3,718 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.