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A method for the calculation of the orbital moments for complex crystal structures

✍ Scribed by Barbara Szpunar


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
233 KB
Volume
115
Category
Article
ISSN
0375-9601

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Molecular orbital calculations for the H
✍ 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.