Calculation of the Huckel Parameter (Beta) from the Free-Electron Model

Calculation of the Huckel Parameter (Beta) from the Free-Electron Model

The Huckel molecular orbital (HMO) is a simple model for conjugated pi systems. Comparison of the free-electron (FE) and the HMO model is used to carry out a reliable estimate of the Huckel parameter beta.

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Bibliographische Detailangaben
Veröffentlicht in:Journal of chemical education 1992-02, Vol.69 (2), p.96
1. Verfasser: Taubmann, Gerhard
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Free electrons
Mathematical models
Mathematics
Molecular orbitals
Parameter estimation
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Beschreibung
Zusammenfassung:The Huckel molecular orbital (HMO) is a simple model for conjugated pi systems. Comparison of the free-electron (FE) and the HMO model is used to carry out a reliable estimate of the Huckel parameter beta.
ISSN:0021-9584
1938-1328