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.
| Identifier | MLC-T-CHM-004257 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| Synonyms | EHMO method |
| References | PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1939 (https://doi.org/10.1351/pac199971101919) |
| See also | Molecular 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/"
}
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