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Extended Hückel MO method

Term · Chemistry · MLC-T-CHM-004257

A semi-empirical quantum mechanical method used to calculate molecular orbital energies and wavefunctions for molecules. It is an extension of the simpler Hückel method, incorporating all valence electrons and considering overlap integrals between atomic orbitals. This method provides a qualitative understanding of electronic structure and bonding in organic and inorganic compounds.

Table 1. Record
IdentifierMLC-T-CHM-004257
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
SynonymsEHMO method
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1939 (https://doi.org/10.1351/pac199971101919)
See alsoMolecular orbital; Valence
Record as JSON
{
  "id": "MLC-T-CHM-004257",
  "term": "Extended Hückel MO method",
  "field": "Chemistry",
  "definition": "A semi-empirical quantum mechanical method used to calculate molecular orbital energies and wavefunctions for molecules. It is an extension of the simpler Hückel method, incorporating all valence electrons and considering overlap integrals between atomic orbitals. This method provides a qualitative understanding of electronic structure and bonding in organic and inorganic compounds.",
  "synonyms": [
    "EHMO method"
  ],
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "molecular orbital",
    "valence"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1939 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/extended-huckel-mo-method/"
}

Record 4,512 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.