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Isodesmic reaction

Term · Chemistry · MLC-T-CHM-006176

A hypothetical chemical reaction in which the number of bonds of a given type is conserved on both sides of the equation. This type of reaction is used in computational chemistry to calculate strain energies or heats of formation by minimizing errors due to basis set incompleteness. For example, the number of C-C, C-H, and C=C bonds remains constant.

Table 1. Record
IdentifierMLC-T-CHM-006176
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
ReferencesPAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1128 (https://doi.org/10.1351/pac199466051077)
See alsoHammett equation
Record as JSON
{
  "id": "MLC-T-CHM-006176",
  "term": "Isodesmic reaction",
  "field": "Chemistry",
  "definition": "A hypothetical chemical reaction in which the number of bonds of a given type is conserved on both sides of the equation. This type of reaction is used in computational chemistry to calculate strain energies or heats of formation by minimizing errors due to basis set incompleteness. For example, the number of C-C, C-H, and C=C bonds remains constant.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "Hammett equation"
  ],
  "references": [
    "PAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1128 (https://doi.org/10.1351/pac199466051077)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/isodesmic-reaction/"
}

Record 6,557 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.