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On the propagation of errors in Hückel-Wheland molecular orbital calculations

✍ Scribed by Wm. D. Moseley; J. Ladik; O. Mårtensson

Publisher
Springer
Year
1967
Tongue
English
Weight
378 KB
Volume
8
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

Extended Hückel Molecular Orbital Calcul
Extended Hückel Molecular Orbital Calculations for the Bridged Annulenes
✍ Angelo Gavezzotti; Massimo Simonetta 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 German ⚖ 764 KB

## Abstract Extended __Hückel__ molecular orbital calculations have been performed for bridged [10], [12] and [14]annulenes. Orbital energies and wave functions were used to investigate the relative stabilities of different geometries. The theoretical results were also used to reinforce and complem