MLchartDataset catalogue

Potential-energy surface

Term · Chemistry · MLC-T-CHM-009321

A multidimensional mathematical surface that describes the potential energy of a molecular system as a function of the positions of its constituent atoms. Each point on the surface corresponds to a unique molecular geometry and its associated potential energy. Minima on this surface represent stable molecular structures, while saddle points correspond to transition states.

Table 1. Record
IdentifierMLC-T-CHM-009321
FieldChemistry
SubjectPhysical and Biophysical Chemistry
Synonymspotential-energy reaction surface
ReferencesPAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1151 (https://doi.org/10.1351/pac199466051077); PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 177 (https://doi.org/10.1351/pac199668010149)
See alsoGibbs energy diagram; Angle; Bond order; Concerted process; Elementary reaction; Potential-energy profile; Reaction coordinate; Transition state
Record as JSON
{
  "id": "MLC-T-CHM-009321",
  "term": "Potential-energy surface",
  "field": "Chemistry",
  "definition": "A multidimensional mathematical surface that describes the potential energy of a molecular system as a function of the positions of its constituent atoms. Each point on the surface corresponds to a unique molecular geometry and its associated potential energy. Minima on this surface represent stable molecular structures, while saddle points correspond to transition states.",
  "synonyms": [
    "potential-energy reaction surface"
  ],
  "subject": "Physical and Biophysical Chemistry",
  "see_also": [
    "Gibbs energy diagram",
    "angle",
    "bond order",
    "concerted process",
    "elementary reaction",
    "potential-energy profile",
    "reaction coordinate",
    "transition state"
  ],
  "references": [
    "PAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1151 (https://doi.org/10.1351/pac199466051077)",
    "PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 177 (https://doi.org/10.1351/pac199668010149)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/potential-energy-surface/"
}

Record 9,902 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.