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Energy gradient

Term · Chemistry · MLC-T-CHM-003923

A vector representing the rate of change of a molecule's potential energy with respect to the geometric coordinates of its constituent atoms. This vector points in the direction of the steepest ascent on the potential energy surface. The negative of the energy gradient indicates the direction of the force acting on the atoms, and its magnitude is zero at all stationary points, including energy minima and transition states.

Table 1. Record
IdentifierMLC-T-CHM-003923
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1938 (https://doi.org/10.1351/pac199971101919)
See alsoGradient
Record as JSON
{
  "id": "MLC-T-CHM-003923",
  "term": "Energy gradient",
  "field": "Chemistry",
  "definition": "A vector representing the rate of change of a molecule's potential energy with respect to the geometric coordinates of its constituent atoms. This vector points in the direction of the steepest ascent on the potential energy surface. The negative of the energy gradient indicates the direction of the force acting on the atoms, and its magnitude is zero at all stationary points, including energy minima and transition states.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "gradient"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1938 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/energy-gradient/"
}

Record 4,157 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.