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Molecular orbital calculations for the HCl crystal

✍ Scribed by Z. Latajka; H. Ratajczak

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
285 KB
Volume
66
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Molecular orbital calculations for the H
Molecular orbital calculations for the HF crystal
✍ R.W. Crowe; D.P. Santry πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 236 KB

CNDO based molecular orbital caIculations are reported for solid HF and compared with results from a recent structural determmntlon. It is Found that thcoretlcal structure is net in good agreement with that observed experimentally at 4 K.

Extended HΓΌckel Molecular Orbital Calcul
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✍ Angelo Gavezzotti; Massimo Simonetta πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 German βš– 764 KB

## Abstract Extended __HΓΌckel__ 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